(2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

C19H26N4O2 — CID 142183186

IUPAC(2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCc1[nH]c2ccccc2c1C[C@H](N)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C19H26N4O2/c1-13-15(14-6-2-3-7-17(14)22-13)12-16(20)19(25)21-9-5-11-23-10-4-8-18(23)24/h2-3,6-7,16,22H,4-5,8-12,20H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyUPYLZGUMMDJJSH-INIZCTEOSA-N
MW342.44 g/mol
LogP1.47
Rot. Bonds7

About (2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

(2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (PubChem CID 142183186) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
PubChem CID142183186
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCc1[nH]c2ccccc2c1C[C@H](N)C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C19H26N4O2/c1-13-15(14-6-2-3-7-17(14)22-13)12-16(20)19(25)21-9-5-11-23-10-4-8-18(23)24/h2-3,6-7,16,22H,4-5,8-12,20H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyUPYLZGUMMDJJSH-INIZCTEOSA-N
XLogP1.47
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
CID 42992469
(2S)-2-amino-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pentanamide;hydrochloride
CID 119671605
(2S)-2-amino-4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pentanamide
CID 119687909
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 119671584
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
(2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 30482285
2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide
CID 116850216
N-[(1R,3S)-3-(2-methyl-1H-indol-3-yl)cyclopentyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 92606051
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methyl-1H-indole-3-carboxamide
CID 75369929
5-methoxy-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
CID 4971080
4-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 67090406
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The IUPAC name of (2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (CID 142183186) is (2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is Cc1[nH]c2ccccc2c1C[C@H](N)C(=O)NCCCN1CCCC1=O.
What is the InChIKey of (2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The InChIKey is UPYLZGUMMDJJSH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-15(14-6-2-3-7-17(14)22-13)12-16(20)19(25)21-9-5-11-23-10-4-8-18(23)24/h2-3,6-7,16,22H,4-5,8-12,20H2,1H3,(H,21,25)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
(2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is sourced from PubChem (CID 142183186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).