2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid

C9H14N2O5 — CID 61181974

IUPAC2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid
SMILESCOC(=O)CNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C9H14N2O5/c1-16-8(14)4-10-9(15)11(5-7(12)13)6-2-3-6/h6H,2-5H2,1H3,(H,10,15)(H,12,13)
InChIKeyWOORFMGDHMVAFN-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.58
Rot. Bonds5

About 2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid

2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid (PubChem CID 61181974) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid
PubChem CID61181974
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid
SMILESCOC(=O)CNC(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C9H14N2O5/c1-16-8(14)4-10-9(15)11(5-7(12)13)6-2-3-6/h6H,2-5H2,1H3,(H,10,15)(H,12,13)
InChIKeyWOORFMGDHMVAFN-UHFFFAOYSA-N
XLogP-0.58
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43135721
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2-[cyclopropyl(propylcarbamoyl)amino]acetic acid
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2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid
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2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid
CID 114618078
2-[cyclopropyl(2-cyclopropylpropylcarbamoyl)amino]acetic acid
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2-[cyclopropyl-[3-(dimethylamino)propylcarbamoyl]amino]acetic acid
CID 54978981
2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid
CID 82944448
2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
CID 61182104
2-[cyclopropyl-[2-(methanesulfonamido)ethylcarbamoyl]amino]acetic acid
CID 54978578
2-[cyclopropyl-[(5-ethylthiophen-2-yl)methylcarbamoyl]amino]acetic acid
CID 103996026
2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258950

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid (CID 61181974) is 2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid is COC(=O)CNC(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid?
The InChIKey is WOORFMGDHMVAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-16-8(14)4-10-9(15)11(5-7(12)13)6-2-3-6/h6H,2-5H2,1H3,(H,10,15)(H,12,13).
What are the key properties of 2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid?
2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid has a molecular weight of 230.22 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61181974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).