prop-2-enyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate

C18H24N2O4 — CID 10496804

IUPACprop-2-enyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate
SMILESC=CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(N)CCCC1
InChIInChI=1S/C18H24N2O4/c1-2-11-24-16(22)15(12-13-5-7-14(21)8-6-13)20-17(23)18(19)9-3-4-10-18/h2,5-8,15,21H,1,3-4,9-12,19H2,(H,20,23)/t15-/m0/s1
InChIKeyGXXXGAKGRGZPJV-HNNXBMFYSA-N
MW332.40 g/mol
LogP1.42
Rot. Bonds7

About prop-2-enyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate

prop-2-enyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate (PubChem CID 10496804) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is prop-2-enyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameprop-2-enyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate
PubChem CID10496804
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameprop-2-enyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate
SMILESC=CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(N)CCCC1
InChIInChI=1S/C18H24N2O4/c1-2-11-24-16(22)15(12-13-5-7-14(21)8-6-13)20-17(23)18(19)9-3-4-10-18/h2,5-8,15,21H,1,3-4,9-12,19H2,(H,20,23)/t15-/m0/s1
InChIKeyGXXXGAKGRGZPJV-HNNXBMFYSA-N
XLogP1.42
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[(1-aminocyclohexanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 10567712
carbonic acid;prop-2-enyl 3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanoate
CID 137423914
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 103869046
butyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate
CID 10737366
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 139663590
methyl 2-[(1-aminocyclohexanecarbonyl)amino]-3-(3,4-dihydroxyphenyl)propanoate
CID 74316393
methyl (2S)-2-[(1-aminocyclohexanecarbonyl)amino]-3-(3,4-dihydroxyphenyl)propanoate;hydrochloride
CID 73346175
prop-2-enyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride
CID 138991803
bis(prop-2-enyl) 2-[[(2S)-3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)propanoyl]amino]pentanedioate
CID 10299012
[2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate
CID 10598176
prop-2-enyl 2-acetamido-3-phenylpropanoate
CID 67861806
3-(4-hydroxyphenyl)-2-(iodoamino)propanoic acid;prop-2-enyl hydrogen carbonate
CID 174964607

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of prop-2-enyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate (CID 10496804) is prop-2-enyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for prop-2-enyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for prop-2-enyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate is C=CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1(N)CCCC1.
What is the InChIKey of prop-2-enyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate?
The InChIKey is GXXXGAKGRGZPJV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-11-24-16(22)15(12-13-5-7-14(21)8-6-13)20-17(23)18(19)9-3-4-10-18/h2,5-8,15,21H,1,3-4,9-12,19H2,(H,20,23)/t15-/m0/s1.
What are the key properties of prop-2-enyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate?
prop-2-enyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate has a molecular weight of 332.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 10496804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).