2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid

C14H26N2O3 — CID 61201099

IUPAC2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N(C)C1CCCCCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-8-12(13(17)18)15-14(19)16(2)11-9-6-4-5-7-10-11/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNQVCIFLOHFYICA-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.60
Rot. Bonds5

About 2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid

2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid (PubChem CID 61201099) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
PubChem CID61201099
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N(C)C1CCCCCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-8-12(13(17)18)15-14(19)16(2)11-9-6-4-5-7-10-11/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNQVCIFLOHFYICA-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
2-[[cycloheptyl(methyl)carbamoyl]amino]butanoic acid
CID 61201094
2-[[cyclopentyl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194163
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909826
5-amino-2-[[cycloheptyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61201089
(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107143266
(2S)-5-amino-2-[[cyclopentyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61195271
(2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid
CID 107566610
2-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]pentanoic acid
CID 61203915
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
CID 78972171
2-[[cyclopropyl(ethyl)carbamoyl]amino]pentanoic acid
CID 61196558
(2R)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909881

Frequently Asked Questions

What is the IUPAC name of 2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid (CID 61201099) is 2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid is CCCC(NC(=O)N(C)C1CCCCCC1)C(=O)O.
What is the InChIKey of 2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid?
The InChIKey is NQVCIFLOHFYICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-8-12(13(17)18)15-14(19)16(2)11-9-6-4-5-7-10-11/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid?
2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cycloheptyl(methyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 61201099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).