(2-cyclopropyl-2-oxoethyl)carbamic acid

C6H9NO3 — CID 135321318

IUPAC(2-cyclopropyl-2-oxoethyl)carbamic acid
SMILESO=C(O)NCC(=O)C1CC1
InChIInChI=1S/C6H9NO3/c8-5(4-1-2-4)3-7-6(9)10/h4,7H,1-3H2,(H,9,10)
InChIKeyQTVOPUYCMORLOY-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.23
Rot. Bonds3

About (2-cyclopropyl-2-oxoethyl)carbamic acid

(2-cyclopropyl-2-oxoethyl)carbamic acid (PubChem CID 135321318) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2-cyclopropyl-2-oxoethyl)carbamic acid.

Molecular Properties

Compound Name(2-cyclopropyl-2-oxoethyl)carbamic acid
PubChem CID135321318
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2-cyclopropyl-2-oxoethyl)carbamic acid
SMILESO=C(O)NCC(=O)C1CC1
InChIInChI=1S/C6H9NO3/c8-5(4-1-2-4)3-7-6(9)10/h4,7H,1-3H2,(H,9,10)
InChIKeyQTVOPUYCMORLOY-UHFFFAOYSA-N
XLogP0.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropyl-2-oxoethyl)-2,2,2-trifluoroacetamide
CID 126997827
cyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate
CID 70312043
1-cyclopropyl-2-(propan-2-ylamino)ethanone
CID 116554980
(Z)-2-[(2-cyclobutyl-2-oxoethyl)amino]-4-cyclopropyl-3-methylbut-2-enoic acid
CID 174354790
1-cyclopropyl-3-hydroxypropan-1-one
CID 115011064
1-cycloheptyl-2-(cyclopropylamino)ethanone
CID 116555214
(2S)-N-(2-cyclohexyl-2-oxoethyl)pyrrolidine-2-carboxamide
CID 141027681
7-cyclopropyl-7-oxoheptanoic acid
CID 24726981
1-cycloheptyl-2-(cyclopropylmethylamino)ethanone
CID 116557770
tert-butyl N-[2-(oxan-4-yl)-2-oxoethyl]carbamate
CID 75406583
2-anilino-1-cyclobutylethanone
CID 116555468
N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 136529784

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-2-oxoethyl)carbamic acid?
The IUPAC name of (2-cyclopropyl-2-oxoethyl)carbamic acid (CID 135321318) is (2-cyclopropyl-2-oxoethyl)carbamic acid.
What is the SMILES notation for (2-cyclopropyl-2-oxoethyl)carbamic acid?
The canonical SMILES for (2-cyclopropyl-2-oxoethyl)carbamic acid is O=C(O)NCC(=O)C1CC1.
What is the InChIKey of (2-cyclopropyl-2-oxoethyl)carbamic acid?
The InChIKey is QTVOPUYCMORLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-5(4-1-2-4)3-7-6(9)10/h4,7H,1-3H2,(H,9,10).
What are the key properties of (2-cyclopropyl-2-oxoethyl)carbamic acid?
(2-cyclopropyl-2-oxoethyl)carbamic acid has a molecular weight of 143.14 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-2-oxoethyl)carbamic acid is sourced from PubChem (CID 135321318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).