1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid

C14H18N2O4 — CID 115450629

IUPAC1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H18N2O4/c15-11(7-9-1-3-10(17)4-2-9)12(18)16-8-14(5-6-14)13(19)20/h1-4,11,17H,5-8,15H2,(H,16,18)(H,19,20)/t11-/m0/s1
InChIKeySKGGQGXFQZGZIB-NSHDSACASA-N
MW278.31 g/mol
LogP0.24
Rot. Bonds6

About 1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450629) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115450629
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H18N2O4/c15-11(7-9-1-3-10(17)4-2-9)12(18)16-8-14(5-6-14)13(19)20/h1-4,11,17H,5-8,15H2,(H,16,18)(H,19,20)/t11-/m0/s1
InChIKeySKGGQGXFQZGZIB-NSHDSACASA-N
XLogP0.24
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

2-amino-N-[(1-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 77056076
1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 76894205
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide
CID 131929889
2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide
CID 114350792
(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
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
L-Tyrosine (disodium)
CID 66602062
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497

Frequently Asked Questions

What is the IUPAC name of 1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115450629) is 1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid is N[C@@H](Cc1ccc(O)cc1)C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is SKGGQGXFQZGZIB-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O4/c15-11(7-9-1-3-10(17)4-2-9)12(18)16-8-14(5-6-14)13(19)20/h1-4,11,17H,5-8,15H2,(H,16,18)(H,19,20)/t11-/m0/s1.
What are the key properties of 1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).