[1-[[(E)-3-(4-hydroxyphenyl)prop-1-enyl]amino]-1-oxopropan-2-yl]carbamic acid

C13H16N2O4 — CID 70362776

IUPAC[1-[[(E)-3-(4-hydroxyphenyl)prop-1-enyl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)N/C=C/Cc1ccc(O)cc1
InChIInChI=1S/C13H16N2O4/c1-9(15-13(18)19)12(17)14-8-2-3-10-4-6-11(16)7-5-10/h2,4-9,15-16H,3H2,1H3,(H,14,17)(H,18,19)/b8-2+
InChIKeyWBJGVTZHXGCVCB-KRXBUXKQSA-N
MW264.28 g/mol
LogP1.22
Rot. Bonds5

About [1-[[(E)-3-(4-hydroxyphenyl)prop-1-enyl]amino]-1-oxopropan-2-yl]carbamic acid

[1-[[(E)-3-(4-hydroxyphenyl)prop-1-enyl]amino]-1-oxopropan-2-yl]carbamic acid (PubChem CID 70362776) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is [1-[[(E)-3-(4-hydroxyphenyl)prop-1-enyl]amino]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[[(E)-3-(4-hydroxyphenyl)prop-1-enyl]amino]-1-oxopropan-2-yl]carbamic acid
PubChem CID70362776
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name[1-[[(E)-3-(4-hydroxyphenyl)prop-1-enyl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)N/C=C/Cc1ccc(O)cc1
InChIInChI=1S/C13H16N2O4/c1-9(15-13(18)19)12(17)14-8-2-3-10-4-6-11(16)7-5-10/h2,4-9,15-16H,3H2,1H3,(H,14,17)(H,18,19)/b8-2+
InChIKeyWBJGVTZHXGCVCB-KRXBUXKQSA-N
XLogP1.22
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-1-oxo-1-(3-phenylprop-1-enylamino)propan-2-yl]propanamide
CID 70362543
(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)-N-[(2R)-1-oxo-1-[[(E)-3-pyridin-3-ylprop-1-enyl]amino]propan-2-yl]propanamide
CID 70439305
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-1-oxo-1-(3-thiophen-3-ylprop-1-enylamino)propan-2-yl]propanamide
CID 70362600
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-1-oxo-1-(3-pyrimidin-5-ylprop-1-enylamino)propan-2-yl]propanamide
CID 70362812
(2Z,7E)-1,9-bis(4-hydroxyphenyl)nona-2,7-diene-4,6-dione
CID 131752689
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]propanoic acid
CID 19950021
methyl (Z)-5-(4-hydroxyphenyl)pent-3-enoate
CID 117267991
[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365
4-(4-phenylbut-2-enyl)phenol
CID 66608492
[(1R)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69395015
[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69394441

Frequently Asked Questions

What is the IUPAC name of [1-[[(E)-3-(4-hydroxyphenyl)prop-1-enyl]amino]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-[[(E)-3-(4-hydroxyphenyl)prop-1-enyl]amino]-1-oxopropan-2-yl]carbamic acid (CID 70362776) is [1-[[(E)-3-(4-hydroxyphenyl)prop-1-enyl]amino]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[[(E)-3-(4-hydroxyphenyl)prop-1-enyl]amino]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-[[(E)-3-(4-hydroxyphenyl)prop-1-enyl]amino]-1-oxopropan-2-yl]carbamic acid is CC(NC(=O)O)C(=O)N/C=C/Cc1ccc(O)cc1.
What is the InChIKey of [1-[[(E)-3-(4-hydroxyphenyl)prop-1-enyl]amino]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is WBJGVTZHXGCVCB-KRXBUXKQSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-9(15-13(18)19)12(17)14-8-2-3-10-4-6-11(16)7-5-10/h2,4-9,15-16H,3H2,1H3,(H,14,17)(H,18,19)/b8-2+.
What are the key properties of [1-[[(E)-3-(4-hydroxyphenyl)prop-1-enyl]amino]-1-oxopropan-2-yl]carbamic acid?
[1-[[(E)-3-(4-hydroxyphenyl)prop-1-enyl]amino]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 264.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(E)-3-(4-hydroxyphenyl)prop-1-enyl]amino]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 70362776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).