2-[cyclopropylmethyl(propylcarbamoyl)amino]acetic acid

C10H18N2O3 — CID 43655718

IUPAC2-[cyclopropylmethyl(propylcarbamoyl)amino]acetic acid
SMILESCCCNC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H18N2O3/c1-2-5-11-10(15)12(7-9(13)14)6-8-3-4-8/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyBBGOYMYDACMLKH-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.90
Rot. Bonds6

About 2-[cyclopropylmethyl(propylcarbamoyl)amino]acetic acid

2-[cyclopropylmethyl(propylcarbamoyl)amino]acetic acid (PubChem CID 43655718) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propylcarbamoyl)amino]acetic acid
PubChem CID43655718
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[cyclopropylmethyl(propylcarbamoyl)amino]acetic acid
SMILESCCCNC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H18N2O3/c1-2-5-11-10(15)12(7-9(13)14)6-8-3-4-8/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyBBGOYMYDACMLKH-UHFFFAOYSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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(propylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(propylcarbamoyl)amino]acetic acid (CID 43655718) is 2-[cyclopropylmethyl(propylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(propylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(propylcarbamoyl)amino]acetic acid is CCCNC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(propylcarbamoyl)amino]acetic acid?
The InChIKey is BBGOYMYDACMLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-5-11-10(15)12(7-9(13)14)6-8-3-4-8/h8H,2-7H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-[cyclopropylmethyl(propylcarbamoyl)amino]acetic acid?
2-[cyclopropylmethyl(propylcarbamoyl)amino]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 43655718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).