2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid

C13H24N2O4 — CID 65048420

IUPAC2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid
SMILESCOCC(NC(=O)N(CC(=O)O)CC1CC1)C(C)C
InChIInChI=1S/C13H24N2O4/c1-9(2)11(8-19-3)14-13(18)15(7-12(16)17)6-10-4-5-10/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyVVYNQHUAIQQMIU-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.16
Rot. Bonds8

About 2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid (PubChem CID 65048420) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid
PubChem CID65048420
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid
SMILESCOCC(NC(=O)N(CC(=O)O)CC1CC1)C(C)C
InChIInChI=1S/C13H24N2O4/c1-9(2)11(8-19-3)14-13(18)15(7-12(16)17)6-10-4-5-10/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyVVYNQHUAIQQMIU-UHFFFAOYSA-N
XLogP1.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
CID 54959971
3-[cyclopropyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 65048180
2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid
CID 103996414
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271724
2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 43655374
2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid
CID 113364523
2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid
CID 43655102
2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid
CID 61475859
2-[cyclopropylmethyl-[(2-methylcyclopropyl)methylcarbamoyl]amino]acetic acid
CID 103995923
2-[ethyl(2-methylpentan-3-ylcarbamoyl)amino]acetic acid
CID 61471634
2-[cyclopropylmethyl-(2-methyl-3-methylsulfanylpropanoyl)amino]acetic acid
CID 115730572
4-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 65053308

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid (CID 65048420) is 2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid is COCC(NC(=O)N(CC(=O)O)CC1CC1)C(C)C.
What is the InChIKey of 2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid?
The InChIKey is VVYNQHUAIQQMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)11(8-19-3)14-13(18)15(7-12(16)17)6-10-4-5-10/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 65048420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).