cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid

C10H17NO3 — CID 93311627

IUPACcis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(C(=O)[C@@H]1C[C@@H]1C(=O)O)C(C)C
InChIInChI=1S/C10H17NO3/c1-4-11(6(2)3)9(12)7-5-8(7)10(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t7-,8+/m1/s1
InChIKeyURAGSXGZSSXFDS-SFYZADRCSA-N
MW199.25 g/mol
LogP0.96
Rot. Bonds4

About cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 93311627) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID93311627
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namecis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCN(C(=O)[C@@H]1C[C@@H]1C(=O)O)C(C)C
InChIInChI=1S/C10H17NO3/c1-4-11(6(2)3)9(12)7-5-8(7)10(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t7-,8+/m1/s1
InChIKeyURAGSXGZSSXFDS-SFYZADRCSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948640
2-[propan-2-yl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948460
cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344004
cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091957
2-[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 103187928
cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320338
2-[ethyl(1-ethylsulfonylpropan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976163
2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119185161
cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378868
2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182373
cis-(1S,2R)-2-[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131878
2-amino-N-ethyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 64824092

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 93311627) is cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is CCN(C(=O)[C@@H]1C[C@@H]1C(=O)O)C(C)C.
What is the InChIKey of cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is URAGSXGZSSXFDS-SFYZADRCSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-11(6(2)3)9(12)7-5-8(7)10(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t7-,8+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93311627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).