2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid

C14H26N2O3 — CID 112547749

IUPAC2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid
SMILESCC(CCCN)C(=O)NC1CCCCCC1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(6-5-9-15)13(17)16-12-8-4-2-3-7-11(12)14(18)19/h10-12H,2-9,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyYDGUMJAPGICIJR-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.51
Rot. Bonds6

About 2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid

2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 112547749) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid
PubChem CID112547749
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid
SMILESCC(CCCN)C(=O)NC1CCCCCC1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(6-5-9-15)13(17)16-12-8-4-2-3-7-11(12)14(18)19/h10-12H,2-9,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyYDGUMJAPGICIJR-UHFFFAOYSA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(2,3-dimethylcyclopentyl)-2-methylpentanamide
CID 104685198
2-(2,4-dimethylpent-4-enoylamino)cyclooctane-1-carboxylic acid
CID 120688808
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 107222022
2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid
CID 65228027
2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 64817389
5-amino-N-(cyclohexylmethyl)-2-methylpentanamide
CID 104683632
5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide
CID 104685410
2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 103869669
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 64815182
2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]cyclohexane-1-carboxylic acid
CID 64816609
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide
CID 76978469
2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid
CID 64814795

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid (CID 112547749) is 2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid is CC(CCCN)C(=O)NC1CCCCCC1C(=O)O.
What is the InChIKey of 2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is YDGUMJAPGICIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(6-5-9-15)13(17)16-12-8-4-2-3-7-11(12)14(18)19/h10-12H,2-9,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid?
2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 112547749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).