2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid

C12H21N3O5 — CID 69045484

IUPAC2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid
SMILESCC(=O)N1CC(O)CC1C(=O)NC(CCCN)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-7(16)15-6-8(17)5-10(15)11(18)14-9(12(19)20)3-2-4-13/h8-10,17H,2-6,13H2,1H3,(H,14,18)(H,19,20)
InChIKeyZVPNWKFAHWMOAY-UHFFFAOYSA-N
MW287.32 g/mol
LogP-1.72
Rot. Bonds6

About 2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid

2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid (PubChem CID 69045484) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid.

Molecular Properties

Compound Name2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid
PubChem CID69045484
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid
SMILESCC(=O)N1CC(O)CC1C(=O)NC(CCCN)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-7(16)15-6-8(17)5-10(15)11(18)14-9(12(19)20)3-2-4-13/h8-10,17H,2-6,13H2,1H3,(H,14,18)(H,19,20)
InChIKeyZVPNWKFAHWMOAY-UHFFFAOYSA-N
XLogP-1.72
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[(2S)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 69042765
(2S)-2-[[(2S)-2-[[(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoic acid
CID 142058684
(2S)-2-[[(2S)-1-acetyl-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 69040594
(2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid
CID 22838737
6-amino-2-[[1-[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
CID 18489354
1-(1-acetyl-4-hydroxypyrrolidin-2-yl)ethanone
CID 20687038
1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone
CID 58595355
1-acetyl-N-[5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 22888583
(2S)-5-amino-2-(carbamothioylamino)pentanoic acid
CID 87236660
(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,4R)-4-hydroxy-1-[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
CID 155536835
(2S)-6-amino-2-[[(2S,4R)-1-[(2S)-2-[[(2S,3R)-2-[[(2S,4R)-1-[(2S,4R)-1-[(2S,4R)-1-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]hexanoic acid
CID 175729867
(2S)-2-[[2-[[(2S,4R)-1-[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]pentanedioic acid
CID 175709456

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid?
The IUPAC name of 2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid (CID 69045484) is 2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid.
What is the SMILES notation for 2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid?
The canonical SMILES for 2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid is CC(=O)N1CC(O)CC1C(=O)NC(CCCN)C(=O)O.
What is the InChIKey of 2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid?
The InChIKey is ZVPNWKFAHWMOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-7(16)15-6-8(17)5-10(15)11(18)14-9(12(19)20)3-2-4-13/h8-10,17H,2-6,13H2,1H3,(H,14,18)(H,19,20).
What are the key properties of 2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid?
2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid has a molecular weight of 287.32 g/mol, XLogP of -1.72, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid is sourced from PubChem (CID 69045484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).