(2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid

C10H18N2O3 — CID 69153165

IUPAC(2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N1CC[C@H](N)C1=O
InChIInChI=1S/C10H18N2O3/c1-6(2)5-8(10(14)15)12-4-3-7(11)9(12)13/h6-8H,3-5,11H2,1-2H3,(H,14,15)/t7-,8-/m0/s1
InChIKeyFQQVOUGDEFANAD-YUMQZZPRSA-N
MW214.26 g/mol
LogP0.05
Rot. Bonds4

About (2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid

(2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid (PubChem CID 69153165) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
PubChem CID69153165
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N1CC[C@H](N)C1=O
InChIInChI=1S/C10H18N2O3/c1-6(2)5-8(10(14)15)12-4-3-7(11)9(12)13/h6-8H,3-5,11H2,1-2H3,(H,14,15)/t7-,8-/m0/s1
InChIKeyFQQVOUGDEFANAD-YUMQZZPRSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid (CID 69153165) is (2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid is CC(C)C[C@@H](C(=O)O)N1CC[C@H](N)C1=O.
What is the InChIKey of (2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid?
The InChIKey is FQQVOUGDEFANAD-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(2)5-8(10(14)15)12-4-3-7(11)9(12)13/h6-8H,3-5,11H2,1-2H3,(H,14,15)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid?
(2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid is sourced from PubChem (CID 69153165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).