2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid

C11H23N3O3 — CID 65226283

IUPAC2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(C)CCNC)C(=O)O
InChIInChI=1S/C11H23N3O3/c1-4-5-9(10(15)16)8-13-11(17)14(3)7-6-12-2/h9,12H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyGOEOKKTVPZSGCW-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.35
Rot. Bonds8

About 2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid

2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid (PubChem CID 65226283) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid
PubChem CID65226283
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(C)CCNC)C(=O)O
InChIInChI=1S/C11H23N3O3/c1-4-5-9(10(15)16)8-13-11(17)14(3)7-6-12-2/h9,12H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyGOEOKKTVPZSGCW-UHFFFAOYSA-N
XLogP0.35
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]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-[[[methyl(3-methylsulfanylpropyl)carbamoyl]amino]methyl]pentanoic acid
CID 114237789
2-[[[butyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65219387
3-methyl-4-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]butanoic acid
CID 81069981
2-methyl-5-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]pentanoic acid
CID 104686710
2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid
CID 114950946
2-[[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]butanoic acid
CID 65223458
2-[(methylcarbamoylamino)methyl]pentanoic acid
CID 65217625
2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid
CID 65223613
2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 65223609
2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66167993
2-[[[2,2-dimethylpropyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65222515
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926

Frequently Asked Questions

What is the IUPAC name of 2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid (CID 65226283) is 2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)N(C)CCNC)C(=O)O.
What is the InChIKey of 2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid?
The InChIKey is GOEOKKTVPZSGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-4-5-9(10(15)16)8-13-11(17)14(3)7-6-12-2/h9,12H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid?
2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid has a molecular weight of 245.32 g/mol, XLogP of 0.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 65226283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).