propyl (2S)-4-amino-2-[[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoate

C15H26N4O5 — CID 165061977

IUPACpropyl (2S)-4-amino-2-[[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoate
SMILESCCCOC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C15H26N4O5/c1-3-7-24-15(23)10(8-12(16)20)18-13(21)9-17-14(22)11-5-4-6-19(11)2/h10-11H,3-9H2,1-2H3,(H2,16,20)(H,17,22)(H,18,21)/t10-,11-/m0/s1
InChIKeyRIULZISJYYLTNU-QWRGUYRKSA-N
MW342.40 g/mol
LogP-1.49
Rot. Bonds9

About propyl (2S)-4-amino-2-[[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoate

propyl (2S)-4-amino-2-[[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoate (PubChem CID 165061977) has the molecular formula C15H26N4O5 and a molecular weight of 342.40 g/mol. Its IUPAC name is propyl (2S)-4-amino-2-[[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Namepropyl (2S)-4-amino-2-[[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoate
PubChem CID165061977
Molecular FormulaC15H26N4O5
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Namepropyl (2S)-4-amino-2-[[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoate
SMILESCCCOC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C15H26N4O5/c1-3-7-24-15(23)10(8-12(16)20)18-13(21)9-17-14(22)11-5-4-6-19(11)2/h10-11H,3-9H2,1-2H3,(H2,16,20)(H,17,22)(H,18,21)/t10-,11-/m0/s1
InChIKeyRIULZISJYYLTNU-QWRGUYRKSA-N
XLogP-1.49
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze propyl (2S)-4-amino-2-[[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoate with MolForge

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Related Compounds

2-[[(2S)-4-amino-2-[[2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoyl]amino]acetic acid
CID 175723770
4-amino-2-[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]imino-4-oxobutanoic acid
CID 167019792
(2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide
CID 158518275
(2S)-1-[(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-methylpentanoyl]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 101106721
2-[[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid
CID 18490385
N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde
CID 142213067
tert-butyl (2S)-2-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 101040287
4-amino-2-[[2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoic acid
CID 18246214
1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide
CID 143358047
2-[[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoic acid
CID 18297152
(2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 139684981
(2R)-N-methoxy-1-methylpyrrolidine-2-carboxamide
CID 87416878

Frequently Asked Questions

What is the IUPAC name of propyl (2S)-4-amino-2-[[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoate?
The IUPAC name of propyl (2S)-4-amino-2-[[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoate (CID 165061977) is propyl (2S)-4-amino-2-[[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoate.
What is the SMILES notation for propyl (2S)-4-amino-2-[[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoate?
The canonical SMILES for propyl (2S)-4-amino-2-[[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoate is CCCOC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C.
What is the InChIKey of propyl (2S)-4-amino-2-[[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoate?
The InChIKey is RIULZISJYYLTNU-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H26N4O5/c1-3-7-24-15(23)10(8-12(16)20)18-13(21)9-17-14(22)11-5-4-6-19(11)2/h10-11H,3-9H2,1-2H3,(H2,16,20)(H,17,22)(H,18,21)/t10-,11-/m0/s1.
What are the key properties of propyl (2S)-4-amino-2-[[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoate?
propyl (2S)-4-amino-2-[[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoate has a molecular weight of 342.40 g/mol, XLogP of -1.49, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2S)-4-amino-2-[[2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoate is sourced from PubChem (CID 165061977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).