3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid

C12H21NO3 — CID 115909831

IUPAC3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)C1CC(C)C1)C(=O)O
InChIInChI=1S/C12H21NO3/c1-4-8(3)10(12(15)16)13-11(14)9-5-7(2)6-9/h7-10H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyPMHYKALNNKMSHX-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.65
Rot. Bonds5

About 3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid

3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid (PubChem CID 115909831) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
PubChem CID115909831
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)C1CC(C)C1)C(=O)O
InChIInChI=1S/C12H21NO3/c1-4-8(3)10(12(15)16)13-11(14)9-5-7(2)6-9/h7-10H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyPMHYKALNNKMSHX-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
CID 65019151
(2S,3S)-2-[(3-aminocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 66010236
(2S,3S)-3-methyl-2-(thiane-4-carbonylamino)pentanoic acid
CID 110837216
(2S)-2-[(3,5-dimethylcyclohexyl)carbamoylamino]-3-methylpentanoic acid
CID 64731560
(2S,3S)-2-[(3-aminocyclohexanecarbonyl)amino]-3-methylpentanoic acid
CID 63044886
(2S,3S)-2-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 114226158
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 79526745
(2S,3S)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylpentanoic acid
CID 106703216
3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175072
(2S,3S)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 119194354
2-[2-(cyclopentanecarbonylamino)propanoylamino]-3-methylpentanoic acid
CID 119212075
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid (CID 115909831) is 3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid is CCC(C)C(NC(=O)C1CC(C)C1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid?
The InChIKey is PMHYKALNNKMSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-8(3)10(12(15)16)13-11(14)9-5-7(2)6-9/h7-10H,4-6H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid?
3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid is sourced from PubChem (CID 115909831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).