methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate

C12H17N3O3 — CID 54862261

IUPACmethyl N-[3-(2-aminobutanoylamino)phenyl]carbamate
SMILESCCC(N)C(=O)Nc1cccc(NC(=O)OC)c1
InChIInChI=1S/C12H17N3O3/c1-3-10(13)11(16)14-8-5-4-6-9(7-8)15-12(17)18-2/h4-7,10H,3,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyUOFVBQVEUZMRNM-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.54
Rot. Bonds4

About methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate

methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate (PubChem CID 54862261) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(2-aminobutanoylamino)phenyl]carbamate
PubChem CID54862261
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl N-[3-(2-aminobutanoylamino)phenyl]carbamate
SMILESCCC(N)C(=O)Nc1cccc(NC(=O)OC)c1
InChIInChI=1S/C12H17N3O3/c1-3-10(13)11(16)14-8-5-4-6-9(7-8)15-12(17)18-2/h4-7,10H,3,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyUOFVBQVEUZMRNM-UHFFFAOYSA-N
XLogP1.54
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate 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

methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978
2-amino-N-[3-(carbamoylamino)phenyl]butanamide
CID 43710987
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
methyl N-[3-[(3-amino-2-methylpropanoyl)amino]phenyl]carbamate
CID 62670350
(2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride
CID 119262061
methyl N-[3-[2-(aminomethyl)pentanoylamino]phenyl]carbamate
CID 65229667
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
2-[3-[[(2S)-2-aminobutanoyl]amino]phenoxy]acetic acid
CID 79023142
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284739
2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 120987592
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate?
The IUPAC name of methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate (CID 54862261) is methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate is CCC(N)C(=O)Nc1cccc(NC(=O)OC)c1.
What is the InChIKey of methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate?
The InChIKey is UOFVBQVEUZMRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-10(13)11(16)14-8-5-4-6-9(7-8)15-12(17)18-2/h4-7,10H,3,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate?
methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate has a molecular weight of 251.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate is sourced from PubChem (CID 54862261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).