(1-ethoxy-1-oxopropan-2-yl)carbamic acid

C6H11NO4 — CID 58928687

IUPAC(1-ethoxy-1-oxopropan-2-yl)carbamic acid
SMILESCCOC(=O)C(C)NC(=O)O
InChIInChI=1S/C6H11NO4/c1-3-11-5(8)4(2)7-6(9)10/h4,7H,3H2,1-2H3,(H,9,10)
InChIKeyINPRCDSTKIDMSS-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.21
Rot. Bonds3

About (1-ethoxy-1-oxopropan-2-yl)carbamic acid

(1-ethoxy-1-oxopropan-2-yl)carbamic acid (PubChem CID 58928687) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (1-ethoxy-1-oxopropan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1-ethoxy-1-oxopropan-2-yl)carbamic acid
PubChem CID58928687
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(1-ethoxy-1-oxopropan-2-yl)carbamic acid
SMILESCCOC(=O)C(C)NC(=O)O
InChIInChI=1S/C6H11NO4/c1-3-11-5(8)4(2)7-6(9)10/h4,7H,3H2,1-2H3,(H,9,10)
InChIKeyINPRCDSTKIDMSS-UHFFFAOYSA-N
XLogP0.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-acetamidopropanoate
CID 11805045
ethyl (2S)-2-(3-hydroxybut-2-enoylamino)propanoate
CID 140606099
ethyl 2-(carbamothioylamino)propanoate
CID 61498979
ethyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 14778327
ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61498902
ethyl 2-(2-methylprop-2-enoylamino)propanoate
CID 86135895
3-[(1-ethoxy-1-oxopropan-2-yl)amino]butanoic acid
CID 61498801
ethyl 2-(3-aminopropanoylamino)propanoate
CID 61499067
ethyl 2-(fluoroamino)propanoate
CID 89108988
ethyl (2S)-2-(propan-2-ylamino)propanoate
CID 45086712
ethyl (2R)-2-(methylamino)propanoate;hydrochloride
CID 138987649
3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
CID 61499075

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-1-oxopropan-2-yl)carbamic acid?
The IUPAC name of (1-ethoxy-1-oxopropan-2-yl)carbamic acid (CID 58928687) is (1-ethoxy-1-oxopropan-2-yl)carbamic acid.
What is the SMILES notation for (1-ethoxy-1-oxopropan-2-yl)carbamic acid?
The canonical SMILES for (1-ethoxy-1-oxopropan-2-yl)carbamic acid is CCOC(=O)C(C)NC(=O)O.
What is the InChIKey of (1-ethoxy-1-oxopropan-2-yl)carbamic acid?
The InChIKey is INPRCDSTKIDMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-3-11-5(8)4(2)7-6(9)10/h4,7H,3H2,1-2H3,(H,9,10).
What are the key properties of (1-ethoxy-1-oxopropan-2-yl)carbamic acid?
(1-ethoxy-1-oxopropan-2-yl)carbamic acid has a molecular weight of 161.16 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-1-oxopropan-2-yl)carbamic acid is sourced from PubChem (CID 58928687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).