(3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid

C15H19NO4 — CID 125145333

IUPAC(3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid
SMILESCCO[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)O)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-2-20-13-8-11(13)15(19)16-12(9-14(17)18)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3,(H,16,19)(H,17,18)/t11-,12+,13+/m0/s1
InChIKeyHDGNDOMODGLTIM-YNEHKIRRSA-N
MW277.32 g/mol
LogP1.74
Rot. Bonds7

About (3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid

(3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid (PubChem CID 125145333) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid
PubChem CID125145333
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid
SMILESCCO[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)O)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-2-20-13-8-11(13)15(19)16-12(9-14(17)18)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3,(H,16,19)(H,17,18)/t11-,12+,13+/m0/s1
InChIKeyHDGNDOMODGLTIM-YNEHKIRRSA-N
XLogP1.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid with MolForge

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Related Compounds

3-(ethoxycarbonylamino)-3-phenylpropanoic acid;hydrochloride
CID 174330958
(3S)-3-phenyl-3-(propylamino)propanoic acid
CID 66918405
(3S)-3-[[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 97310726
(2S)-2-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 124683022
propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate
CID 134009754
3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 115867052
3-[(2-methyloxane-4-carbonyl)amino]-3-phenylpropanoic acid
CID 120512412
2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390983
3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61195800
6-(1-phenylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 17281542
ethyl (3S)-3-[(4,4-difluorocyclohexanecarbonyl)amino]-3-phenylpropanoate
CID 10131981
3-[(1-methylpyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 60922108

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid (CID 125145333) is (3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid is CCO[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)O)c1ccccc1.
What is the InChIKey of (3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid?
The InChIKey is HDGNDOMODGLTIM-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-20-13-8-11(13)15(19)16-12(9-14(17)18)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3,(H,16,19)(H,17,18)/t11-,12+,13+/m0/s1.
What are the key properties of (3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid?
(3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(1S,2R)-2-ethoxycyclopropanecarbonyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 125145333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).