5-(cyclopropanecarbonylamino)-4-methylpentanoic acid

C10H17NO3 — CID 82010371

IUPAC5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C1CC1
InChIInChI=1S/C10H17NO3/c1-7(2-5-9(12)13)6-11-10(14)8-3-4-8/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13)
InChIKeyRWBJVLFHMRYYFB-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.01
Rot. Bonds6

About 5-(cyclopropanecarbonylamino)-4-methylpentanoic acid

5-(cyclopropanecarbonylamino)-4-methylpentanoic acid (PubChem CID 82010371) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
PubChem CID82010371
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C1CC1
InChIInChI=1S/C10H17NO3/c1-7(2-5-9(12)13)6-11-10(14)8-3-4-8/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13)
InChIKeyRWBJVLFHMRYYFB-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane
CID 166075449
4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 104901378
3-methyl-4-[(4-propan-2-ylcyclohexanecarbonyl)amino]butanoic acid
CID 120536964
5-[(2-aminocycloheptanecarbonyl)amino]-4-methylpentanoic acid
CID 82689474
4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid
CID 82688811
N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide
CID 114316713
4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide
CID 66092057
5-(cyclohexylamino)-4-methylpentanoic acid
CID 82933568
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
5-(cyclohexylcarbamoylamino)-4-methylpentanoic acid
CID 82684243
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 106670569

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-4-methylpentanoic acid?
The IUPAC name of 5-(cyclopropanecarbonylamino)-4-methylpentanoic acid (CID 82010371) is 5-(cyclopropanecarbonylamino)-4-methylpentanoic acid.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-4-methylpentanoic acid?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)C1CC1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-4-methylpentanoic acid?
The InChIKey is RWBJVLFHMRYYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2-5-9(12)13)6-11-10(14)8-3-4-8/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 5-(cyclopropanecarbonylamino)-4-methylpentanoic acid?
5-(cyclopropanecarbonylamino)-4-methylpentanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 82010371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).