2-[2-acetamidoethylcarbamoyl(cyclopropylmethyl)amino]acetic acid

C11H19N3O4 — CID 43656145

IUPAC2-[2-acetamidoethylcarbamoyl(cyclopropylmethyl)amino]acetic acid
SMILESCC(=O)NCCNC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H19N3O4/c1-8(15)12-4-5-13-11(18)14(7-10(16)17)6-9-2-3-9/h9H,2-7H2,1H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyZJQOJSCTCGTURU-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.37
Rot. Bonds7

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

2-[2-acetamidoethylcarbamoyl(cyclopropylmethyl)amino]acetic acid (PubChem CID 43656145) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[2-acetamidoethylcarbamoyl(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-acetamidoethylcarbamoyl(cyclopropylmethyl)amino]acetic acid
PubChem CID43656145
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[2-acetamidoethylcarbamoyl(cyclopropylmethyl)amino]acetic acid
SMILESCC(=O)NCCNC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H19N3O4/c1-8(15)12-4-5-13-11(18)14(7-10(16)17)6-9-2-3-9/h9H,2-7H2,1H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyZJQOJSCTCGTURU-UHFFFAOYSA-N
XLogP-0.37
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-acetamidoethylcarbamoyl(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[2-acetamidoethylcarbamoyl(cyclopropylmethyl)amino]acetic acid (CID 43656145) is 2-[2-acetamidoethylcarbamoyl(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-acetamidoethylcarbamoyl(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[2-acetamidoethylcarbamoyl(cyclopropylmethyl)amino]acetic acid is CC(=O)NCCNC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[2-acetamidoethylcarbamoyl(cyclopropylmethyl)amino]acetic acid?
The InChIKey is ZJQOJSCTCGTURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-8(15)12-4-5-13-11(18)14(7-10(16)17)6-9-2-3-9/h9H,2-7H2,1H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[2-acetamidoethylcarbamoyl(cyclopropylmethyl)amino]acetic acid?
2-[2-acetamidoethylcarbamoyl(cyclopropylmethyl)amino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetamidoethylcarbamoyl(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43656145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).