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

C11H18N2O5 — CID 54959971

IUPAC2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
SMILESCOC(=O)C(C)NC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H18N2O5/c1-7(10(16)18-2)12-11(17)13(6-9(14)15)5-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,17)(H,14,15)
InChIKeyVDLZWNXSXQBQDJ-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.05
Rot. Bonds6

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

2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid (PubChem CID 54959971) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
PubChem CID54959971
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
SMILESCOC(=O)C(C)NC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H18N2O5/c1-7(10(16)18-2)12-11(17)13(6-9(14)15)5-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,17)(H,14,15)
InChIKeyVDLZWNXSXQBQDJ-UHFFFAOYSA-N
XLogP0.05
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 65048420
2-[(1-methoxy-1-oxopropan-2-yl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276797
2-[(2-amino-2-oxoethyl)-(1-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 107438810
2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid
CID 113364523
2-[cyclopropylmethyl-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]amino]acetic acid
CID 61475859
2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid
CID 103996414
2-[(1-amino-1-oxopropan-2-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272265
2-[(2-acetamido-3-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 43655374
methyl 2-(dipropylcarbamoylamino)propanoate
CID 3752223
(2R)-2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
CID 64522000
2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid
CID 43655102
2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 114111594

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid (CID 54959971) is 2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid is COC(=O)C(C)NC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid?
The InChIKey is VDLZWNXSXQBQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-7(10(16)18-2)12-11(17)13(6-9(14)15)5-8-3-4-8/h7-8H,3-6H2,1-2H3,(H,12,17)(H,14,15).
What are the key properties of 2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid has a molecular weight of 258.27 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 54959971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).