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

C12H22N2O3 — CID 43655721

IUPAC2-[cyclopropylmethyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid
SMILESCCC(C)(C)NC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C12H22N2O3/c1-4-12(2,3)13-11(17)14(8-10(15)16)7-9-5-6-9/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyFZCNSQATQILBEQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.68
Rot. Bonds6

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

2-[cyclopropylmethyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 43655721) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid
PubChem CID43655721
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[cyclopropylmethyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid
SMILESCCC(C)(C)NC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C12H22N2O3/c1-4-12(2,3)13-11(17)14(8-10(15)16)7-9-5-6-9/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyFZCNSQATQILBEQ-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid (CID 43655721) is 2-[cyclopropylmethyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid is CCC(C)(C)NC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is FZCNSQATQILBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-12(2,3)13-11(17)14(8-10(15)16)7-9-5-6-9/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[cyclopropylmethyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid?
2-[cyclopropylmethyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 43655721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).