[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate

C14H16ClNO4 — CID 9286430

IUPAC[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESC[C@@H](NC(=O)COC(=O)c1cc(Cl)ccc1O)C1CC1
InChIInChI=1S/C14H16ClNO4/c1-8(9-2-3-9)16-13(18)7-20-14(19)11-6-10(15)4-5-12(11)17/h4-6,8-9,17H,2-3,7H2,1H3,(H,16,18)/t8-/m1/s1
InChIKeyLHIJTOHZXWFVPG-MRVPVSSYSA-N
MW297.74 g/mol
LogP2.12
Rot. Bonds5

About [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate

[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate (PubChem CID 9286430) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
PubChem CID9286430
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESC[C@@H](NC(=O)COC(=O)c1cc(Cl)ccc1O)C1CC1
InChIInChI=1S/C14H16ClNO4/c1-8(9-2-3-9)16-13(18)7-20-14(19)11-6-10(15)4-5-12(11)17/h4-6,8-9,17H,2-3,7H2,1H3,(H,16,18)/t8-/m1/s1
InChIKeyLHIJTOHZXWFVPG-MRVPVSSYSA-N
XLogP2.12
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate with MolForge

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Related Compounds

[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 9286271
5-chloro-N-(1-cyclopropylethyl)-2-hydroxybenzamide
CID 43401499
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 9286413
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 9286441
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4-difluorobenzoate
CID 9490825
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7772041
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7772045
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 2602823
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 1-chloro-9,10-dioxoanthracene-2-carboxylate
CID 9018368
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 9081685
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 8563050
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 8849352

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The IUPAC name of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate (CID 9286430) is [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The canonical SMILES for [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate is C[C@@H](NC(=O)COC(=O)c1cc(Cl)ccc1O)C1CC1.
What is the InChIKey of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The InChIKey is LHIJTOHZXWFVPG-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-8(9-2-3-9)16-13(18)7-20-14(19)11-6-10(15)4-5-12(11)17/h4-6,8-9,17H,2-3,7H2,1H3,(H,16,18)/t8-/m1/s1.
What are the key properties of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate has a molecular weight of 297.74 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 9286430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).