2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid

C19H35N3O4 — CID 130240695

IUPAC2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)CC(C)(CN)C(=O)NCCNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C19H35N3O4/c1-18(2,3)11-19(4,12-20)17(26)22-10-9-21-15(23)13-7-5-6-8-14(13)16(24)25/h13-14H,5-12,20H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)
InChIKeyKENGKVUGZLYLBQ-UHFFFAOYSA-N
MW369.51 g/mol
LogP1.51
Rot. Bonds8

About 2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid

2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 130240695) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID130240695
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Name2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)CC(C)(CN)C(=O)NCCNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C19H35N3O4/c1-18(2,3)11-19(4,12-20)17(26)22-10-9-21-15(23)13-7-5-6-8-14(13)16(24)25/h13-14H,5-12,20H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)
InChIKeyKENGKVUGZLYLBQ-UHFFFAOYSA-N
XLogP1.51
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic 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

cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
2-(2-cyclobutylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115752919
cis-(1S,2R)-2-(4-aminobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 93367078
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60934525
2-(2-cyclopentylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975015
2-(3,3-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975213
2-[2-(methanesulfonamido)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 43546075
2-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61403958
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]cyclohexane-1-carboxylic acid
CID 71264419
2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462
2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 4193724
2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43396587

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 130240695) is 2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid is CC(C)(C)CC(C)(CN)C(=O)NCCNC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is KENGKVUGZLYLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-18(2,3)11-19(4,12-20)17(26)22-10-9-21-15(23)13-7-5-6-8-14(13)16(24)25/h13-14H,5-12,20H2,1-4H3,(H,21,23)(H,22,26)(H,24,25).
What are the key properties of 2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 369.51 g/mol, XLogP of 1.51, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(aminomethyl)-2,4,4-trimethylpentanoyl]amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 130240695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).