2-[carboxymethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]acetic acid

C12H20N2O5 — CID 114114325

IUPAC2-[carboxymethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]acetic acid
SMILESCC(C)C1(CNC(=O)N(CC(=O)O)CC(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c1-8(2)12(3-4-12)7-13-11(19)14(5-9(15)16)6-10(17)18/h8H,3-7H2,1-2H3,(H,13,19)(H,15,16)(H,17,18)
InChIKeyDWKGZFVHPJJYIZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.60
Rot. Bonds7

About 2-[carboxymethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]acetic acid

2-[carboxymethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]acetic acid (PubChem CID 114114325) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[carboxymethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]acetic acid
PubChem CID114114325
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[carboxymethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]acetic acid
SMILESCC(C)C1(CNC(=O)N(CC(=O)O)CC(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c1-8(2)12(3-4-12)7-13-11(19)14(5-9(15)16)6-10(17)18/h8H,3-7H2,1-2H3,(H,13,19)(H,15,16)(H,17,18)
InChIKeyDWKGZFVHPJJYIZ-UHFFFAOYSA-N
XLogP0.60
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[carboxymethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]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-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 114114333
2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide
CID 103742398
2-methoxy-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide
CID 103742368
(2R)-3-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]butanoic acid
CID 114114328
(E)-4-oxo-4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]but-2-enoic acid
CID 114114061
1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea
CID 125448091
2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114114619
cis-(1R,2S)-4-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114114631
2-[3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]furan-2-yl]acetic acid
CID 114217905
(2R)-2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797619
2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797625
(2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide
CID 120794756

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]acetic acid (CID 114114325) is 2-[carboxymethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]acetic acid is CC(C)C1(CNC(=O)N(CC(=O)O)CC(=O)O)CC1.
What is the InChIKey of 2-[carboxymethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]acetic acid?
The InChIKey is DWKGZFVHPJJYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-8(2)12(3-4-12)7-13-11(19)14(5-9(15)16)6-10(17)18/h8H,3-7H2,1-2H3,(H,13,19)(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]acetic acid?
2-[carboxymethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 114114325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).