2-[cycloheptanecarbonyl(ethyl)amino]acetic acid

C12H21NO3 — CID 62585418

IUPAC2-[cycloheptanecarbonyl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1CCCCCC1
InChIInChI=1S/C12H21NO3/c1-2-13(9-11(14)15)12(16)10-7-5-3-4-6-8-10/h10H,2-9H2,1H3,(H,14,15)
InChIKeyRKADMVQADPRKQC-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.89
Rot. Bonds4

About 2-[cycloheptanecarbonyl(ethyl)amino]acetic acid

2-[cycloheptanecarbonyl(ethyl)amino]acetic acid (PubChem CID 62585418) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[cycloheptanecarbonyl(ethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cycloheptanecarbonyl(ethyl)amino]acetic acid
PubChem CID62585418
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[cycloheptanecarbonyl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1CCCCCC1
InChIInChI=1S/C12H21NO3/c1-2-13(9-11(14)15)12(16)10-7-5-3-4-6-8-10/h10H,2-9H2,1H3,(H,14,15)
InChIKeyRKADMVQADPRKQC-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[cycloheptanecarbonyl(ethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lauroylsarcosine
CID 7348
N-Lauroylsarcosine, sodium
CID 21864164
Capryloyl sarcosine
CID 3611914
Glycine, N,N'-(1,9-dioxo-1,9-nonanediyl)bis-, diethyl ester
CID 3064644
Caproyl sarcosine
CID 4216818
2-(N-methylcyclohexanecarboxamido)acetic acid
CID 16773468
ethyl N-dodecanoylglycine
CID 20136168
water N-lauroyl sarcosine
CID 129818308
N-ethyl-N-(2-hydroxy-2-methylpropyl)cycloheptanecarboxamide
CID 71983311
Acetyl carboxymethyl caproyl glycine
CID 14192070
2-[Methyl(undecanoyl)amino]acetic acid
CID 57144888
Acetyl carboxymethyl capryloyl glycine
CID 63651246

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptanecarbonyl(ethyl)amino]acetic acid?
The IUPAC name of 2-[cycloheptanecarbonyl(ethyl)amino]acetic acid (CID 62585418) is 2-[cycloheptanecarbonyl(ethyl)amino]acetic acid.
What is the SMILES notation for 2-[cycloheptanecarbonyl(ethyl)amino]acetic acid?
The canonical SMILES for 2-[cycloheptanecarbonyl(ethyl)amino]acetic acid is CCN(CC(=O)O)C(=O)C1CCCCCC1.
What is the InChIKey of 2-[cycloheptanecarbonyl(ethyl)amino]acetic acid?
The InChIKey is RKADMVQADPRKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-13(9-11(14)15)12(16)10-7-5-3-4-6-8-10/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of 2-[cycloheptanecarbonyl(ethyl)amino]acetic acid?
2-[cycloheptanecarbonyl(ethyl)amino]acetic acid has a molecular weight of 227.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptanecarbonyl(ethyl)amino]acetic acid is sourced from PubChem (CID 62585418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).