2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid

C9H19N3O3 — CID 65223138

IUPAC2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCCN)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-2-3-7(8(13)14)6-12-9(15)11-5-4-10/h7H,2-6,10H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyYOHMGFPLLZJCMT-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.25
Rot. Bonds7

About 2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid

2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid (PubChem CID 65223138) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
PubChem CID65223138
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCCN)C(=O)O
InChIInChI=1S/C9H19N3O3/c1-2-3-7(8(13)14)6-12-9(15)11-5-4-10/h7H,2-6,10H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyYOHMGFPLLZJCMT-UHFFFAOYSA-N
XLogP-0.25
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[(2-aminoethylcarbamoylamino)methyl]pentanoic 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

2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474087
2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid
CID 65223178
2-[(methylcarbamoylamino)methyl]pentanoic acid
CID 65217625
2-[(hex-5-ynylcarbamoylamino)methyl]pentanoic acid
CID 114159413
2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid
CID 65221921
2-[(hexan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65222200
2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid
CID 65223888
2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid
CID 65226423
2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid
CID 65224048
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
2-[(4-methylpentan-2-ylcarbamoylamino)methyl]pentanoic acid
CID 65223798
2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid
CID 65224044

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid?
The IUPAC name of 2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid (CID 65223138) is 2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid.
What is the SMILES notation for 2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid?
The canonical SMILES for 2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid is CCCC(CNC(=O)NCCN)C(=O)O.
What is the InChIKey of 2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid?
The InChIKey is YOHMGFPLLZJCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-2-3-7(8(13)14)6-12-9(15)11-5-4-10/h7H,2-6,10H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid?
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid has a molecular weight of 217.27 g/mol, XLogP of -0.25, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid is sourced from PubChem (CID 65223138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).