2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide

C13H18N2O3 — CID 114350792

IUPAC2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)NC1(CO)CC1
InChIInChI=1S/C13H18N2O3/c14-11(7-9-1-3-10(17)4-2-9)12(18)15-13(8-16)5-6-13/h1-4,11,16-17H,5-8,14H2,(H,15,18)
InChIKeyXYJFLFRBERPSEP-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.10
Rot. Bonds5

About 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide

2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 114350792) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide
PubChem CID114350792
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)NC1(CO)CC1
InChIInChI=1S/C13H18N2O3/c14-11(7-9-1-3-10(17)4-2-9)12(18)15-13(8-16)5-6-13/h1-4,11,16-17H,5-8,14H2,(H,15,18)
InChIKeyXYJFLFRBERPSEP-UHFFFAOYSA-N
XLogP-0.10
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-hydroxyphenyl)-N-(1-methylcyclobutyl)propanamide
CID 114350759
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide
CID 62553374
1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 76894205
1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450629
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2R)-2-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide
CID 104866236
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 77056076
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893
(1S,2S,4S,5R,6R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid;hydrochloride
CID 66902559

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide (CID 114350792) is 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide is NC(Cc1ccc(O)cc1)C(=O)NC1(CO)CC1.
What is the InChIKey of 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is XYJFLFRBERPSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-11(7-9-1-3-10(17)4-2-9)12(18)15-13(8-16)5-6-13/h1-4,11,16-17H,5-8,14H2,(H,15,18).
What are the key properties of 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide?
2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 250.30 g/mol, XLogP of -0.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 114350792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).