(2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid

C12H16N2O5 — CID 121008998

IUPAC(2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid
SMILESCCOc1ccc(NC(=O)OC[C@H](N)C(=O)O)cc1
InChIInChI=1S/C12H16N2O5/c1-2-18-9-5-3-8(4-6-9)14-12(17)19-7-10(13)11(15)16/h3-6,10H,2,7,13H2,1H3,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKeyYKXKKDYJIOFJCB-JTQLQIEISA-N
MW268.27 g/mol
LogP1.05
Rot. Bonds6

About (2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid

(2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid (PubChem CID 121008998) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid
PubChem CID121008998
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name(2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid
SMILESCCOc1ccc(NC(=O)OC[C@H](N)C(=O)O)cc1
InChIInChI=1S/C12H16N2O5/c1-2-18-9-5-3-8(4-6-9)14-12(17)19-7-10(13)11(15)16/h3-6,10H,2,7,13H2,1H3,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKeyYKXKKDYJIOFJCB-JTQLQIEISA-N
XLogP1.05
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethoxyphenyl)carbamoyl hydrogen carbonate
CID 23180192
1-amino-3-(4-ethoxyphenyl)-1-methylurea
CID 154129806
2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119261958
2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide
CID 55080527
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
ethyl N-[4-(methoxymethoxy)phenyl]carbamate
CID 19896200
(2R)-2-amino-4-(4-ethoxyphenyl)-4-oxobutanoic acid
CID 720517
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid
CID 115240669
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
bis(ethyl N-(4-ethoxyphenyl)carbamate);octa-3,5-diyne-1,8-diol
CID 160807108
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid (CID 121008998) is (2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid is CCOc1ccc(NC(=O)OC[C@H](N)C(=O)O)cc1.
What is the InChIKey of (2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid?
The InChIKey is YKXKKDYJIOFJCB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O5/c1-2-18-9-5-3-8(4-6-9)14-12(17)19-7-10(13)11(15)16/h3-6,10H,2,7,13H2,1H3,(H,14,17)(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid?
(2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid has a molecular weight of 268.27 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid is sourced from PubChem (CID 121008998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).