(2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid

C14H26N2O3 — CID 106980329

IUPAC(2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)C1(C(C)C)CCNC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-10(4)11(12(17)18)16-13(19)14(9(2)3)6-7-15-8-14/h9-11,15H,5-8H2,1-4H3,(H,16,19)(H,17,18)/t10?,11-,14?/m0/s1
InChIKeyFCJDUXRCWXDJAE-CVZZAPKMSA-N
MW270.37 g/mol
LogP1.24
Rot. Bonds6

About (2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid

(2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid (PubChem CID 106980329) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
PubChem CID106980329
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)C1(C(C)C)CCNC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-5-10(4)11(12(17)18)16-13(19)14(9(2)3)6-7-15-8-14/h9-11,15H,5-8H2,1-4H3,(H,16,19)(H,17,18)/t10?,11-,14?/m0/s1
InChIKeyFCJDUXRCWXDJAE-CVZZAPKMSA-N
XLogP1.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980275
methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate
CID 106980384
(2R)-4-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980494
N-(4-hydroxy-3-methylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981266
4-hydroxy-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 106980345
2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 106980822
N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107218541
2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 106980598
5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980283
(2R)-5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107830415
N-ethylsulfonyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981399
N-(3,3-dimethylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981240

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid (CID 106980329) is (2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid is CCC(C)[C@H](NC(=O)C1(C(C)C)CCNC1)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid?
The InChIKey is FCJDUXRCWXDJAE-CVZZAPKMSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-10(4)11(12(17)18)16-13(19)14(9(2)3)6-7-15-8-14/h9-11,15H,5-8H2,1-4H3,(H,16,19)(H,17,18)/t10?,11-,14?/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid?
(2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 106980329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).