5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid

C14H17NO4 — CID 129414772

IUPAC5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid
SMILESCCO[C@H]1C[C@@H]1C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C14H17NO4/c1-3-19-12-7-11(12)13(16)15-9-5-4-8(2)10(6-9)14(17)18/h4-6,11-12H,3,7H2,1-2H3,(H,15,16)(H,17,18)/t11-,12-/m0/s1
InChIKeySCQFGURMTVPWNQ-RYUDHWBXSA-N
MW263.29 g/mol
LogP2.06
Rot. Bonds5

About 5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid

5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid (PubChem CID 129414772) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid
PubChem CID129414772
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid
SMILESCCO[C@H]1C[C@@H]1C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C14H17NO4/c1-3-19-12-7-11(12)13(16)15-9-5-4-8(2)10(6-9)14(17)18/h4-6,11-12H,3,7H2,1-2H3,(H,15,16)(H,17,18)/t11-,12-/m0/s1
InChIKeySCQFGURMTVPWNQ-RYUDHWBXSA-N
XLogP2.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690724
5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid
CID 66258924
cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide
CID 96997581
N-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide
CID 60514684
5-[(1-butanoylpyrrolidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 119255170
5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 114429036
5-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]-2-methylbenzoic acid
CID 119255305
5-[[2-(ethylamino)acetyl]amino]-2-methylbenzoic acid
CID 63653512
5-[(2-cyclobutylacetyl)amino]-2-methylbenzoic acid
CID 113352851
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 106670762
5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653015

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid?
The IUPAC name of 5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid (CID 129414772) is 5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid is CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(C)c(C(=O)O)c1.
What is the InChIKey of 5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid?
The InChIKey is SCQFGURMTVPWNQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-19-12-7-11(12)13(16)15-9-5-4-8(2)10(6-9)14(17)18/h4-6,11-12H,3,7H2,1-2H3,(H,15,16)(H,17,18)/t11-,12-/m0/s1.
What are the key properties of 5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid?
5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid has a molecular weight of 263.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 129414772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).