2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid

C13H22N2O5 — CID 78947635

IUPAC2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid
SMILESCC(C)CCN(C(=O)N(CC(=O)O)CC(=O)O)C1CC1
InChIInChI=1S/C13H22N2O5/c1-9(2)5-6-15(10-3-4-10)13(20)14(7-11(16)17)8-12(18)19/h9-10H,3-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyNQUTUYHFBHUZRB-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.09
Rot. Bonds8

About 2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid

2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid (PubChem CID 78947635) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid
PubChem CID78947635
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid
SMILESCC(C)CCN(C(=O)N(CC(=O)O)CC(=O)O)C1CC1
InChIInChI=1S/C13H22N2O5/c1-9(2)5-6-15(10-3-4-10)13(20)14(7-11(16)17)8-12(18)19/h9-10H,3-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyNQUTUYHFBHUZRB-UHFFFAOYSA-N
XLogP1.09
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]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-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 54984189
2-[carboxymethyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 63645629
3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid
CID 61429269
4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 78951224
2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 63679316
cis-(1S,2R)-2-[cyclopropyl(3-methylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93377490
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
N-cyclopropyl-4-methyl-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 55230734
2-[[cyclopropyl(propyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79283860
2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276905
2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408551
1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea
CID 116656765

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid (CID 78947635) is 2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid is CC(C)CCN(C(=O)N(CC(=O)O)CC(=O)O)C1CC1.
What is the InChIKey of 2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid?
The InChIKey is NQUTUYHFBHUZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-9(2)5-6-15(10-3-4-10)13(20)14(7-11(16)17)8-12(18)19/h9-10H,3-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid?
2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 78947635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).