2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-(cyclopropylmethyl)amino]acetic acid

C10H17N3O4 — CID 43656117

IUPAC2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCN(CC(N)=O)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H17N3O4/c1-12(5-8(11)14)10(17)13(6-9(15)16)4-7-2-3-7/h7H,2-6H2,1H3,(H2,11,14)(H,15,16)
InChIKeyQJDLUPCVHOWZFQ-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.68
Rot. Bonds6

About 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-(cyclopropylmethyl)amino]acetic acid

2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43656117) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID43656117
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCN(CC(N)=O)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C10H17N3O4/c1-12(5-8(11)14)10(17)13(6-9(15)16)4-7-2-3-7/h7H,2-6H2,1H3,(H2,11,14)(H,15,16)
InChIKeyQJDLUPCVHOWZFQ-UHFFFAOYSA-N
XLogP-0.68
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-(cyclopropylmethyl)amino]acetic acid (CID 43656117) is 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-(cyclopropylmethyl)amino]acetic acid is CN(CC(N)=O)C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is QJDLUPCVHOWZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-12(5-8(11)14)10(17)13(6-9(15)16)4-7-2-3-7/h7H,2-6H2,1H3,(H2,11,14)(H,15,16).
What are the key properties of 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 243.26 g/mol, XLogP of -0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43656117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).