4-[(2-amino-2-oxoethyl)carbamoyl-methylamino]butanoic acid

C8H15N3O4 — CID 43151944

IUPAC4-[(2-amino-2-oxoethyl)carbamoyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCC(N)=O
InChIInChI=1S/C8H15N3O4/c1-11(4-2-3-7(13)14)8(15)10-5-6(9)12/h2-5H2,1H3,(H2,9,12)(H,10,15)(H,13,14)
InChIKeyXQHZGMFVMAOEOC-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.02
Rot. Bonds6

About 4-[(2-amino-2-oxoethyl)carbamoyl-methylamino]butanoic acid

4-[(2-amino-2-oxoethyl)carbamoyl-methylamino]butanoic acid (PubChem CID 43151944) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-[(2-amino-2-oxoethyl)carbamoyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-amino-2-oxoethyl)carbamoyl-methylamino]butanoic acid
PubChem CID43151944
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name4-[(2-amino-2-oxoethyl)carbamoyl-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)NCC(N)=O
InChIInChI=1S/C8H15N3O4/c1-11(4-2-3-7(13)14)8(15)10-5-6(9)12/h2-5H2,1H3,(H2,9,12)(H,10,15)(H,13,14)
InChIKeyXQHZGMFVMAOEOC-UHFFFAOYSA-N
XLogP-1.02
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-oxoethyl)carbamoyl-methylamino]butanoic acid?
The IUPAC name of 4-[(2-amino-2-oxoethyl)carbamoyl-methylamino]butanoic acid (CID 43151944) is 4-[(2-amino-2-oxoethyl)carbamoyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[(2-amino-2-oxoethyl)carbamoyl-methylamino]butanoic acid?
The canonical SMILES for 4-[(2-amino-2-oxoethyl)carbamoyl-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)NCC(N)=O.
What is the InChIKey of 4-[(2-amino-2-oxoethyl)carbamoyl-methylamino]butanoic acid?
The InChIKey is XQHZGMFVMAOEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-11(4-2-3-7(13)14)8(15)10-5-6(9)12/h2-5H2,1H3,(H2,9,12)(H,10,15)(H,13,14).
What are the key properties of 4-[(2-amino-2-oxoethyl)carbamoyl-methylamino]butanoic acid?
4-[(2-amino-2-oxoethyl)carbamoyl-methylamino]butanoic acid has a molecular weight of 217.22 g/mol, XLogP of -1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-oxoethyl)carbamoyl-methylamino]butanoic acid is sourced from PubChem (CID 43151944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).