(2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide

C8H15N3O2 — CID 42627584

IUPAC(2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESNC(=O)[C@@H](N)CC(=O)N1CCCC1
InChIInChI=1S/C8H15N3O2/c9-6(8(10)13)5-7(12)11-3-1-2-4-11/h6H,1-5,9H2,(H2,10,13)/t6-/m0/s1
InChIKeyNJDVQQATQUFXNN-LURJTMIESA-N
MW185.23 g/mol
LogP-1.19
Rot. Bonds3

About (2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide

(2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 42627584) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID42627584
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESNC(=O)[C@@H](N)CC(=O)N1CCCC1
InChIInChI=1S/C8H15N3O2/c9-6(8(10)13)5-7(12)11-3-1-2-4-11/h6H,1-5,9H2,(H2,10,13)/t6-/m0/s1
InChIKeyNJDVQQATQUFXNN-LURJTMIESA-N
XLogP-1.19
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid
CID 67330383
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 69026348
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 66431515
2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide
CID 61248901
(2-oxo-2-pyrrolidin-1-ylethyl)azanium
CID 40787505
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
2-amino-4-oxo-4-piperazin-1-ylbutanoic acid
CID 70945873
2-amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpropanoic acid
CID 43176433
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 2771373

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of (2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 42627584) is (2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for (2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide is NC(=O)[C@@H](N)CC(=O)N1CCCC1.
What is the InChIKey of (2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is NJDVQQATQUFXNN-LURJTMIESA-N. The full InChI is InChI=1S/C8H15N3O2/c9-6(8(10)13)5-7(12)11-3-1-2-4-11/h6H,1-5,9H2,(H2,10,13)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide?
(2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 185.23 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 42627584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).