(2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid

C12H22N2O3 — CID 164518962

IUPAC(2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid
SMILESCCCC[C@H](C)[C@@H](C(=O)O)N1CC[C@@H](N)C1=O
InChIInChI=1S/C12H22N2O3/c1-3-4-5-8(2)10(12(16)17)14-7-6-9(13)11(14)15/h8-10H,3-7,13H2,1-2H3,(H,16,17)/t8-,9+,10-/m0/s1
InChIKeyOSYJFNCJZZTOCM-AEJSXWLSSA-N
MW242.32 g/mol
LogP0.83
Rot. Bonds6

About (2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid

(2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid (PubChem CID 164518962) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid
PubChem CID164518962
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid
SMILESCCCC[C@H](C)[C@@H](C(=O)O)N1CC[C@@H](N)C1=O
InChIInChI=1S/C12H22N2O3/c1-3-4-5-8(2)10(12(16)17)14-7-6-9(13)11(14)15/h8-10H,3-7,13H2,1-2H3,(H,16,17)/t8-,9+,10-/m0/s1
InChIKeyOSYJFNCJZZTOCM-AEJSXWLSSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
CID 69153165
(2R)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid
CID 67918001
(2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid
CID 178147603
3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
CID 79267295
3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one
CID 63925092
[(1S)-1-(3-amino-2-oxopyrrolidin-1-yl)ethyl]boronic acid
CID 11229050
(2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 167012852
(2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid
CID 11435079
3-amino-1-(4-methylpentyl)pyrrolidin-2-one
CID 63004038
methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoate
CID 67272214
3-amino-1-(1-phenylpropan-2-yl)pyrrolidin-2-one
CID 63012641
3-amino-1-(1-cyclobutylpropyl)pyrrolidin-2-one
CID 127002629

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid?
The IUPAC name of (2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid (CID 164518962) is (2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid.
What is the SMILES notation for (2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid?
The canonical SMILES for (2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid is CCCC[C@H](C)[C@@H](C(=O)O)N1CC[C@@H](N)C1=O.
What is the InChIKey of (2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid?
The InChIKey is OSYJFNCJZZTOCM-AEJSXWLSSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-4-5-8(2)10(12(16)17)14-7-6-9(13)11(14)15/h8-10H,3-7,13H2,1-2H3,(H,16,17)/t8-,9+,10-/m0/s1.
What are the key properties of (2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid?
(2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(3R)-3-amino-2-oxopyrrolidin-1-yl]-3-methylheptanoic acid is sourced from PubChem (CID 164518962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).