1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid

C14H26N2O3 — CID 107570320

IUPAC1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid
SMILESCCC[C@@H](N)C(=O)NCC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H26N2O3/c1-2-7-11(15)12(17)16-10-14(13(18)19)8-5-3-4-6-9-14/h11H,2-10,15H2,1H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyALYXJVUYEHEPLM-LLVKDONJSA-N
MW270.37 g/mol
LogP1.66
Rot. Bonds6

About 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid

1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid (PubChem CID 107570320) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid
PubChem CID107570320
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid
SMILESCCC[C@@H](N)C(=O)NCC1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H26N2O3/c1-2-7-11(15)12(17)16-10-14(13(18)19)8-5-3-4-6-9-14/h11H,2-10,15H2,1H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyALYXJVUYEHEPLM-LLVKDONJSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107570315
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 107570322
1-[(2-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450692
1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309229
1-[[(2-amino-4-carboxybutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436305
1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442596
1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 104903843
1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436415
(2R)-2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797619
2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797625
1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450693
2-amino-N-[(1-methylcyclohexyl)methyl]hexanamide
CID 103832772

Frequently Asked Questions

What is the IUPAC name of 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid (CID 107570320) is 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid is CCC[C@@H](N)C(=O)NCC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid?
The InChIKey is ALYXJVUYEHEPLM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-7-11(15)12(17)16-10-14(13(18)19)8-5-3-4-6-9-14/h11H,2-10,15H2,1H3,(H,16,17)(H,18,19)/t11-/m1/s1.
What are the key properties of 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid?
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 107570320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).