(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide

C20H31N3O2 — CID 131929889

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)NCC1(N2CCCCC2)CCCC1
InChIInChI=1S/C20H31N3O2/c21-18(14-16-6-8-17(24)9-7-16)19(25)22-15-20(10-2-3-11-20)23-12-4-1-5-13-23/h6-9,18,24H,1-5,10-15,21H2,(H,22,25)/t18-/m0/s1
InChIKeyHCISDGBAUYVULT-SFHVURJKSA-N
MW345.49 g/mol
LogP2.18
Rot. Bonds6

About (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide

(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide (PubChem CID 131929889) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide
PubChem CID131929889
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)NCC1(N2CCCCC2)CCCC1
InChIInChI=1S/C20H31N3O2/c21-18(14-16-6-8-17(24)9-7-16)19(25)22-15-20(10-2-3-11-20)23-12-4-1-5-13-23/h6-9,18,24H,1-5,10-15,21H2,(H,22,25)/t18-/m0/s1
InChIKeyHCISDGBAUYVULT-SFHVURJKSA-N
XLogP2.18
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(1-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 77056076
2-amino-3-(4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 76905886
1-[[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450629
(2S)-2-amino-3-(4-hydroxyphenyl)-N-piperidin-1-ylpropanamide
CID 83021846
2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 76893887
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
CID 79004655
1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 76894205
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035
2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide
CID 114350792
2-amino-3-(4-hydroxyphenyl)-N-(1-methylcyclobutyl)propanamide
CID 114350759
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide (CID 131929889) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide is N[C@@H](Cc1ccc(O)cc1)C(=O)NCC1(N2CCCCC2)CCCC1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide?
The InChIKey is HCISDGBAUYVULT-SFHVURJKSA-N. The full InChI is InChI=1S/C20H31N3O2/c21-18(14-16-6-8-17(24)9-7-16)19(25)22-15-20(10-2-3-11-20)23-12-4-1-5-13-23/h6-9,18,24H,1-5,10-15,21H2,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide has a molecular weight of 345.49 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide is sourced from PubChem (CID 131929889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).