(2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid

C10H17NO3 — CID 165451319

IUPAC(2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C1(C)CC1)C(=O)O
InChIInChI=1S/C10H17NO3/c1-3-4-7(8(12)13)11-9(14)10(2)5-6-10/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)/t7-/m1/s1
InChIKeyNSPMDBOZRAEPFA-SSDOTTSWSA-N
MW199.25 g/mol
LogP1.16
Rot. Bonds5

About (2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid

(2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid (PubChem CID 165451319) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid
PubChem CID165451319
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C1(C)CC1)C(=O)O
InChIInChI=1S/C10H17NO3/c1-3-4-7(8(12)13)11-9(14)10(2)5-6-10/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)/t7-/m1/s1
InChIKeyNSPMDBOZRAEPFA-SSDOTTSWSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid
CID 65463645
2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid
CID 115923942
2-[(3-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 63141860
2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 63162284
2-[(4-methylpiperidine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 63122631
2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 43630836
2-[(1-methylcyclopentyl)amino]pentanoic acid
CID 83041723
1-methyl-N-pentan-2-ylcyclohexane-1-carboxamide
CID 165121512
2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 113491249
2-methyl-1-(1-methylcyclopropyl)pentan-1-one
CID 107896359
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 43630613
(2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]pentanoic acid
CID 107565154

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid (CID 165451319) is (2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid is CCC[C@@H](NC(=O)C1(C)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid?
The InChIKey is NSPMDBOZRAEPFA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-4-7(8(12)13)11-9(14)10(2)5-6-10/h7H,3-6H2,1-2H3,(H,11,14)(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid?
(2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methylcyclopropanecarbonyl)amino]pentanoic acid is sourced from PubChem (CID 165451319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).