2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid

C13H24N2O4 — CID 103996414

IUPAC2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid
SMILESCC(C)COCCNC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C13H24N2O4/c1-10(2)9-19-6-5-14-13(18)15(8-12(16)17)7-11-3-4-11/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyOXZLHFKJJZQEEL-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.17
Rot. Bonds9

About 2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid (PubChem CID 103996414) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid
PubChem CID103996414
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid
SMILESCC(C)COCCNC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C13H24N2O4/c1-10(2)9-19-6-5-14-13(18)15(8-12(16)17)7-11-3-4-11/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyOXZLHFKJJZQEEL-UHFFFAOYSA-N
XLogP1.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 65048420
2-[2-(cyclopropanecarbonylamino)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 103994352
2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 113410869
2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid
CID 103995923
2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066342
2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 61408059
2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
CID 54959971
2-[2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463174
2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 114111594
4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide
CID 113264018
2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 61380602
2-[2-cyclohexyloxyethylcarbamoyl(ethyl)amino]acetic acid
CID 63834419

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid (CID 103996414) is 2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid is CC(C)COCCNC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid?
The InChIKey is OXZLHFKJJZQEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(2)9-19-6-5-14-13(18)15(8-12(16)17)7-11-3-4-11/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 1.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 103996414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).