4-amino-2-[[1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid

C18H29N5O7 — CID 18750968

IUPAC4-amino-2-[[1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
SMILESCC(O)C(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C18H29N5O7/c1-9(24)14(20)17(28)23-7-3-5-12(23)16(27)22-6-2-4-11(22)15(26)21-10(18(29)30)8-13(19)25/h9-12,14,24H,2-8,20H2,1H3,(H2,19,25)(H,21,26)(H,29,30)
InChIKeyIZIVMLDAONJEOY-UHFFFAOYSA-N
MW427.46 g/mol
LogP-2.88
Rot. Bonds8

About 4-amino-2-[[1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid

4-amino-2-[[1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid (PubChem CID 18750968) has the molecular formula C18H29N5O7 and a molecular weight of 427.46 g/mol. Its IUPAC name is 4-amino-2-[[1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[[1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
PubChem CID18750968
Molecular FormulaC18H29N5O7
Molecular Weight427.46 g/mol
Exact Mass427.21
IUPAC Name4-amino-2-[[1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
SMILESCC(O)C(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C18H29N5O7/c1-9(24)14(20)17(28)23-7-3-5-12(23)16(27)22-6-2-4-11(22)15(26)21-10(18(29)30)8-13(19)25/h9-12,14,24H,2-8,20H2,1H3,(H2,19,25)(H,21,26)(H,29,30)
InChIKeyIZIVMLDAONJEOY-UHFFFAOYSA-N
XLogP-2.88
TPSA196.36 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 5-2.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 4-amino-2-[[1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

(2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 146239829
(2S)-2-[[(2S)-1-[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 71351596
5-amino-2-[[5-amino-2-[[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 18750812
(2S)-4-amino-2-[[(2S)-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
CID 71347145
(2S)-1-[1-[(2S)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)pyrrolidine-2-carboxamide
CID 134692366
1-[1-[(3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 71036515
2-[[1-[1-(2,4-diamino-4-oxobutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 22657957
2-[[1-[1-(2,4-diamino-4-oxobutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid
CID 22657945
4-amino-2-[[1-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
CID 22652358
4-amino-2-[[1-[2-[(2-amino-3-methylpentanoyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
CID 18500884
4-amino-2-[[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
CID 18297299
2-[[6-amino-2-[[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]butanedioic acid
CID 18750909

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[[1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid (CID 18750968) is 4-amino-2-[[1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[[1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[[1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid is CC(O)C(N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[[1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid?
The InChIKey is IZIVMLDAONJEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O7/c1-9(24)14(20)17(28)23-7-3-5-12(23)16(27)22-6-2-4-11(22)15(26)21-10(18(29)30)8-13(19)25/h9-12,14,24H,2-8,20H2,1H3,(H2,19,25)(H,21,26)(H,29,30).
What are the key properties of 4-amino-2-[[1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid?
4-amino-2-[[1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid has a molecular weight of 427.46 g/mol, XLogP of -2.88, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 18750968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).