2-[cyclopropylmethyl(propan-2-ylcarbamoyl)amino]acetic acid

C10H18N2O3 — CID 43655744

IUPAC2-[cyclopropylmethyl(propan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(C)NC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H18N2O3/c1-7(2)11-10(15)12(6-9(13)14)5-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyLCBJIALTZFTIHV-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.90
Rot. Bonds5

About 2-[cyclopropylmethyl(propan-2-ylcarbamoyl)amino]acetic acid

2-[cyclopropylmethyl(propan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 43655744) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propan-2-ylcarbamoyl)amino]acetic acid
PubChem CID43655744
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[cyclopropylmethyl(propan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(C)NC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H18N2O3/c1-7(2)11-10(15)12(6-9(13)14)5-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyLCBJIALTZFTIHV-UHFFFAOYSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(propan-2-ylcarbamoyl)amino]acetic acid (CID 43655744) is 2-[cyclopropylmethyl(propan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(propan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(propan-2-ylcarbamoyl)amino]acetic acid is CC(C)NC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(propan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is LCBJIALTZFTIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)11-10(15)12(6-9(13)14)5-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 2-[cyclopropylmethyl(propan-2-ylcarbamoyl)amino]acetic acid?
2-[cyclopropylmethyl(propan-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 43655744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).