3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide

C9H17N3O3 — CID 107218030

IUPAC3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide
SMILESNC(=O)CC(N)C(=O)N1CCC[C@H]1CO
InChIInChI=1S/C9H17N3O3/c10-7(4-8(11)14)9(15)12-3-1-2-6(12)5-13/h6-7,13H,1-5,10H2,(H2,11,14)/t6-,7?/m0/s1
InChIKeyUARRZCAXKKDDAM-PKPIPKONSA-N
MW215.25 g/mol
LogP-1.83
Rot. Bonds4

About 3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide

3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide (PubChem CID 107218030) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound Name3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide
PubChem CID107218030
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide
SMILESNC(=O)CC(N)C(=O)N1CCC[C@H]1CO
InChIInChI=1S/C9H17N3O3/c10-7(4-8(11)14)9(15)12-3-1-2-6(12)5-13/h6-7,13H,1-5,10H2,(H2,11,14)/t6-,7?/m0/s1
InChIKeyUARRZCAXKKDDAM-PKPIPKONSA-N
XLogP-1.83
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 61409806
2,2-diamino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 126732263
(2S)-2-amino-1-[2-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61155952
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
CID 107217806
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 79013261
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217915
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 68920514
(2R)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107218086
(2R,3R)-2,3,4-trihydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 70927936
1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60954201
(2S)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 61409766

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide?
The IUPAC name of 3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide (CID 107218030) is 3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide.
What is the SMILES notation for 3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide?
The canonical SMILES for 3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide is NC(=O)CC(N)C(=O)N1CCC[C@H]1CO.
What is the InChIKey of 3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide?
The InChIKey is UARRZCAXKKDDAM-PKPIPKONSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-7(4-8(11)14)9(15)12-3-1-2-6(12)5-13/h6-7,13H,1-5,10H2,(H2,11,14)/t6-,7?/m0/s1.
What are the key properties of 3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide?
3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide has a molecular weight of 215.25 g/mol, XLogP of -1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 107218030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).