(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide

C16H23N3O2 — CID 106134610

IUPAC(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(O)CCCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O2/c1-11(20)5-4-8-18-16(21)14(17)9-12-10-19-15-7-3-2-6-13(12)15/h2-3,6-7,10-11,14,19-20H,4-5,8-9,17H2,1H3,(H,18,21)/t11?,14-/m0/s1
InChIKeyCSDQHDBJQVFMRL-IAXJKZSUSA-N
MW289.38 g/mol
LogP1.31
Rot. Bonds7

About (2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide

(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 106134610) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
PubChem CID106134610
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
SMILESCC(O)CCCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O2/c1-11(20)5-4-8-18-16(21)14(17)9-12-10-19-15-7-3-2-6-13(12)15/h2-3,6-7,10-11,14,19-20H,4-5,8-9,17H2,1H3,(H,18,21)/t11?,14-/m0/s1
InChIKeyCSDQHDBJQVFMRL-IAXJKZSUSA-N
XLogP1.31
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 106134655
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
5-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]pentylcarbamic acid
CID 91013760
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylsulfinylpropyl)propanamide
CID 103827627
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-methylsulfonylethyl)propanamide
CID 61178850
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylbutan-2-yl)propanamide
CID 61148502
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 119956073

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide (CID 106134610) is (2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide is CC(O)CCCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is CSDQHDBJQVFMRL-IAXJKZSUSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(20)5-4-8-18-16(21)14(17)9-12-10-19-15-7-3-2-6-13(12)15/h2-3,6-7,10-11,14,19-20H,4-5,8-9,17H2,1H3,(H,18,21)/t11?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide?
(2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.31, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-hydroxypentyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 106134610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).