(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-propylcyclopropyl)propanamide;hydrochloride

C17H24ClN3O — CID 119957751

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-propylcyclopropyl)propanamide;hydrochloride
SMILESCCCC1CC1NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.Cl
InChIInChI=1S/C17H23N3O.ClH/c1-2-5-11-9-16(11)20-17(21)14(18)8-12-10-19-15-7-4-3-6-13(12)15;/h3-4,6-7,10-11,14,16,19H,2,5,8-9,18H2,1H3,(H,20,21);1H/t11?,14-,16?;/m0./s1
InChIKeyLVEUILKIHUTHSJ-RSGMFGQYSA-N
MW321.85 g/mol
LogP2.76
Rot. Bonds6

About (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-propylcyclopropyl)propanamide;hydrochloride

(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-propylcyclopropyl)propanamide;hydrochloride (PubChem CID 119957751) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-propylcyclopropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-propylcyclopropyl)propanamide;hydrochloride
PubChem CID119957751
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-propylcyclopropyl)propanamide;hydrochloride
SMILESCCCC1CC1NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.Cl
InChIInChI=1S/C17H23N3O.ClH/c1-2-5-11-9-16(11)20-17(21)14(18)8-12-10-19-15-7-4-3-6-13(12)15;/h3-4,6-7,10-11,14,16,19H,2,5,8-9,18H2,1H3,(H,20,21);1H/t11?,14-,16?;/m0./s1
InChIKeyLVEUILKIHUTHSJ-RSGMFGQYSA-N
XLogP2.76
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)propanamide;hydrochloride
CID 119957769
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119957507
(2S)-2-amino-N-(1-ethylpiperidin-4-yl)-3-(1H-indol-3-yl)propanamide;dihydrochloride
CID 119957877
2-amino-N-butyl-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 75973820
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119957532
(2S)-2-amino-N-(2,5-dioxopyrrolidin-3-yl)-3-(1H-indol-3-yl)propanamide
CID 167935031
(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956124
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetate;hydrochloride
CID 91978993
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
CID 119956583
2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane
CID 175493504

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-propylcyclopropyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-propylcyclopropyl)propanamide;hydrochloride (CID 119957751) is (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-propylcyclopropyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-propylcyclopropyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-propylcyclopropyl)propanamide;hydrochloride is CCCC1CC1NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.Cl.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-propylcyclopropyl)propanamide;hydrochloride?
The InChIKey is LVEUILKIHUTHSJ-RSGMFGQYSA-N. The full InChI is InChI=1S/C17H23N3O.ClH/c1-2-5-11-9-16(11)20-17(21)14(18)8-12-10-19-15-7-4-3-6-13(12)15;/h3-4,6-7,10-11,14,16,19H,2,5,8-9,18H2,1H3,(H,20,21);1H/t11?,14-,16?;/m0./s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-(2-propylcyclopropyl)propanamide;hydrochloride?
(2S)-2-amino-3-(1H-indol-3-yl)-N-(2-propylcyclopropyl)propanamide;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 2.76, 6 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-(2-propylcyclopropyl)propanamide;hydrochloride is sourced from PubChem (CID 119957751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).