(2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride

C15H33Cl2N3O — CID 119885169

IUPAC(2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC1CCN(CC(C)C)C1.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-11(2)7-14(16)15(19)17-8-13-5-6-18(10-13)9-12(3)4;;/h11-14H,5-10,16H2,1-4H3,(H,17,19);2*1H/t13?,14-;;/m0../s1
InChIKeySVICGQBVCPSYGQ-HNYZGNTBSA-N
MW342.36 g/mol
LogP2.30
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride

(2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride (PubChem CID 119885169) has the molecular formula C15H33Cl2N3O and a molecular weight of 342.36 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
PubChem CID119885169
Molecular FormulaC15H33Cl2N3O
Molecular Weight342.36 g/mol
Exact Mass341.20
IUPAC Name(2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC1CCN(CC(C)C)C1.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-11(2)7-14(16)15(19)17-8-13-5-6-18(10-13)9-12(3)4;;/h11-14H,5-10,16H2,1-4H3,(H,17,19);2*1H/t13?,14-;;/m0../s1
InChIKeySVICGQBVCPSYGQ-HNYZGNTBSA-N
XLogP2.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-4-methylpentanamide;dihydrochloride
CID 119864228
7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride
CID 119885095
(2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 118427405
methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate
CID 83981066
(2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide
CID 113304850
(2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide
CID 66004860
(2R)-2-amino-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119854697
N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]-2-methylpropanamide;hydrochloride
CID 119761592
2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387
(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296003
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91774516

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride (CID 119885169) is (2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride is CC(C)C[C@H](N)C(=O)NCC1CCN(CC(C)C)C1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride?
The InChIKey is SVICGQBVCPSYGQ-HNYZGNTBSA-N. The full InChI is InChI=1S/C15H31N3O.2ClH/c1-11(2)7-14(16)15(19)17-8-13-5-6-18(10-13)9-12(3)4;;/h11-14H,5-10,16H2,1-4H3,(H,17,19);2*1H/t13?,14-;;/m0../s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride?
(2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride has a molecular weight of 342.36 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride is sourced from PubChem (CID 119885169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).