cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid

C8H12N2O4 — CID 93344016

IUPACcis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(CC(N)=O)C(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C8H12N2O4/c1-10(3-6(9)11)7(12)4-2-5(4)8(13)14/h4-5H,2-3H2,1H3,(H2,9,11)(H,13,14)/t4-,5+/m1/s1
InChIKeyRCHOJORZOLSGKI-UHNVWZDZSA-N
MW200.19 g/mol
LogP-1.35
Rot. Bonds4

About cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 93344016) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID93344016
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Namecis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(CC(N)=O)C(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C8H12N2O4/c1-10(3-6(9)11)7(12)4-2-5(4)8(13)14/h4-5H,2-3H2,1H3,(H2,9,11)(H,13,14)/t4-,5+/m1/s1
InChIKeyRCHOJORZOLSGKI-UHNVWZDZSA-N
XLogP-1.35
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977737
5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706526
cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93377032
cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93378992
2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54875764
trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid
CID 13039560
cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid
CID 93311791
cis-(1R,2S)-2-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 125151502
2-[3-hydroxybutyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391386
cis-(1S,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311851
cis-(1S,2R)-2-[cyclopropyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311623
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974465

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 93344016) is cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid is CN(CC(N)=O)C(=O)[C@@H]1C[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is RCHOJORZOLSGKI-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-10(3-6(9)11)7(12)4-2-5(4)8(13)14/h4-5H,2-3H2,1H3,(H2,9,11)(H,13,14)/t4-,5+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 200.19 g/mol, XLogP of -1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93344016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).