(2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid

C11H20N2O4 — CID 107839891

IUPAC(2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCC1(C)CCCN1C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(2)5-3-7-13(11)10(17)12-6-4-8(14)9(15)16/h8,14H,3-7H2,1-2H3,(H,12,17)(H,15,16)/t8-/m0/s1
InChIKeyOHPLZKMLHKYHML-QMMMGPOBSA-N
MW244.29 g/mol
LogP0.41
Rot. Bonds4

About (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid

(2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid (PubChem CID 107839891) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid
PubChem CID107839891
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCC1(C)CCCN1C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(2)5-3-7-13(11)10(17)12-6-4-8(14)9(15)16/h8,14H,3-7H2,1-2H3,(H,12,17)(H,15,16)/t8-/m0/s1
InChIKeyOHPLZKMLHKYHML-QMMMGPOBSA-N
XLogP0.41
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 63219024
4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107840352
2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841554
(2S)-4-(3-azaspiro[5.5]undecane-3-carbonylamino)-2-hydroxybutanoic acid
CID 107839771
(2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566957
1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311419
4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 107838552
N-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide
CID 97037485
(2S)-4-[(2,2-dimethylthiomorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 114007751
(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107835108
(2S)-4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)-2-hydroxybutanoic acid
CID 107839348
(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid
CID 104934111

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid (CID 107839891) is (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid is CC1(C)CCCN1C(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid?
The InChIKey is OHPLZKMLHKYHML-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2)5-3-7-13(11)10(17)12-6-4-8(14)9(15)16/h8,14H,3-7H2,1-2H3,(H,12,17)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid?
(2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107839891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).