2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid

C12H21N3O4 — CID 61443365

IUPAC2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid
SMILESCCCN(CC1CC1)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C12H21N3O4/c1-2-5-15(8-9-3-4-9)12(19)14-6-10(16)13-7-11(17)18/h9H,2-8H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyHRRMMSQHHWTWNM-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.02
Rot. Bonds8

About 2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid

2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid (PubChem CID 61443365) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid
PubChem CID61443365
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid
SMILESCCCN(CC1CC1)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C12H21N3O4/c1-2-5-15(8-9-3-4-9)12(19)14-6-10(16)13-7-11(17)18/h9H,2-8H2,1H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyHRRMMSQHHWTWNM-UHFFFAOYSA-N
XLogP0.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]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

2-[[butyl(cyclopropylmethyl)carbamoyl]amino]acetic acid
CID 141135639
2-[[ethyl(propyl)carbamoyl]amino]acetic acid
CID 43445697
3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]pentanoic acid
CID 81069707
(2S)-4-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838868
2-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-methylpropanoic acid
CID 61443321
N-(cyclopropylmethyl)-N-propylacetamide
CID 59001159
methyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 115575376
1-(cyclopropylmethyl)-1-ethyl-3-propylurea
CID 115622668
2-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]acetic acid
CID 63956464
3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]benzoic acid
CID 61442889
1-(cyclopropylmethyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylurea
CID 119070667
(2S)-4-amino-2-[[cyclopropylmethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717362

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid (CID 61443365) is 2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid is CCCN(CC1CC1)C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid?
The InChIKey is HRRMMSQHHWTWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-2-5-15(8-9-3-4-9)12(19)14-6-10(16)13-7-11(17)18/h9H,2-8H2,1H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid?
2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[cyclopropylmethyl(propyl)carbamoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 61443365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).