4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid

C11H20N2O3 — CID 104901378

IUPAC4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)[C@H]1CCCN1
InChIInChI=1S/C11H20N2O3/c1-8(4-5-10(14)15)7-13-11(16)9-3-2-6-12-9/h8-9,12H,2-7H2,1H3,(H,13,16)(H,14,15)/t8?,9-/m1/s1
InChIKeyFYPLJFUQZJWDOA-YGPZHTELSA-N
MW228.29 g/mol
LogP0.36
Rot. Bonds6

About 4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid

4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid (PubChem CID 104901378) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid
PubChem CID104901378
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)[C@H]1CCCN1
InChIInChI=1S/C11H20N2O3/c1-8(4-5-10(14)15)7-13-11(16)9-3-2-6-12-9/h8-9,12H,2-7H2,1H3,(H,13,16)(H,14,15)/t8?,9-/m1/s1
InChIKeyFYPLJFUQZJWDOA-YGPZHTELSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid
CID 82688811
N-(2,3-dimethylbutyl)pyrrolidine-2-carboxamide
CID 64597278
5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
CID 82010371
2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 65224542
N-(2-cyclopropylpropyl)pyrrolidine-2-carboxamide
CID 115591240
N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 54906567
(2S)-N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 61165570
N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802
(2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide
CID 148575646
3-(azepane-2-carbonylamino)-2-methylpropanoic acid
CID 64569148
(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid
CID 61159815
3-methoxy-4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 103157063

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid (CID 104901378) is 4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid is CC(CCC(=O)O)CNC(=O)[C@H]1CCCN1.
What is the InChIKey of 4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid?
The InChIKey is FYPLJFUQZJWDOA-YGPZHTELSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(4-5-10(14)15)7-13-11(16)9-3-2-6-12-9/h8-9,12H,2-7H2,1H3,(H,13,16)(H,14,15)/t8?,9-/m1/s1.
What are the key properties of 4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid?
4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 104901378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).