(2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid

C7H13N3O3 — CID 178147603

IUPAC(2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid
SMILESNC1CCN(C[C@H](N)C(=O)O)C1=O
InChIInChI=1S/C7H13N3O3/c8-4-1-2-10(6(4)11)3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,12,13)/t4?,5-/m0/s1
InChIKeyBOFRXPOKIGRYMS-AKGZTFGVSA-N
MW187.20 g/mol
LogP-2.04
Rot. Bonds3

About (2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid

(2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid (PubChem CID 178147603) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid
PubChem CID178147603
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name(2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid
SMILESNC1CCN(C[C@H](N)C(=O)O)C1=O
InChIInChI=1S/C7H13N3O3/c8-4-1-2-10(6(4)11)3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,12,13)/t4?,5-/m0/s1
InChIKeyBOFRXPOKIGRYMS-AKGZTFGVSA-N
XLogP-2.04
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679872
3-amino-1-(2-hydroxy-4,4-dimethylpentyl)pyrrolidin-2-one
CID 107159444
3-amino-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591592
(3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride
CID 67416985
3-amino-1-(6-hydroxyhexyl)pyrrolidin-2-one
CID 107849724
(2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
CID 69153165
3-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidin-2-one
CID 115457120
(2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid
CID 164518962
(2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid
CID 138475703
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid
CID 79936689

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid (CID 178147603) is (2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid is NC1CCN(C[C@H](N)C(=O)O)C1=O.
What is the InChIKey of (2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid?
The InChIKey is BOFRXPOKIGRYMS-AKGZTFGVSA-N. The full InChI is InChI=1S/C7H13N3O3/c8-4-1-2-10(6(4)11)3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,12,13)/t4?,5-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid?
(2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid has a molecular weight of 187.20 g/mol, XLogP of -2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 178147603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).