(2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride

C18H26ClN3O — CID 119957322

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride
SMILESCC1(CNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CCCC1.Cl
InChIInChI=1S/C18H25N3O.ClH/c1-18(8-4-5-9-18)12-21-17(22)15(19)10-13-11-20-16-7-3-2-6-14(13)16;/h2-3,6-7,11,15,20H,4-5,8-10,12,19H2,1H3,(H,21,22);1H/t15-;/m0./s1
InChIKeyOCHYOPFDIOSXQD-RSAXXLAASA-N
MW335.88 g/mol
LogP3.16
Rot. Bonds5

About (2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride

(2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride (PubChem CID 119957322) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride
PubChem CID119957322
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride
SMILESCC1(CNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CCCC1.Cl
InChIInChI=1S/C18H25N3O.ClH/c1-18(8-4-5-9-18)12-21-17(22)15(19)10-13-11-20-16-7-3-2-6-14(13)16;/h2-3,6-7,11,15,20H,4-5,8-10,12,19H2,1H3,(H,21,22);1H/t15-;/m0./s1
InChIKeyOCHYOPFDIOSXQD-RSAXXLAASA-N
XLogP3.16
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride
CID 119957354
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
(2S)-2-amino-N-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 103827664
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide
CID 104940105
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956375
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride
CID 119957769
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetate;hydrochloride
CID 91978993
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912
(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
CID 119956583
(2S)-2-amino-N-(1-ethylcyclobutyl)-3-(1H-indol-3-yl)propanamide
CID 103827697
(2S)-2-amino-N-(2-cyclopentyloxyethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956782

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride (CID 119957322) is (2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride is CC1(CNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CCCC1.Cl.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride?
The InChIKey is OCHYOPFDIOSXQD-RSAXXLAASA-N. The full InChI is InChI=1S/C18H25N3O.ClH/c1-18(8-4-5-9-18)12-21-17(22)15(19)10-13-11-20-16-7-3-2-6-14(13)16;/h2-3,6-7,11,15,20H,4-5,8-10,12,19H2,1H3,(H,21,22);1H/t15-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride?
(2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119957322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).