(2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide

C15H29N3O — CID 61173579

IUPAC(2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1CC2CCC(C1)N2C
InChIInChI=1S/C15H29N3O/c1-4-10(2)14(16)15(19)17-9-11-7-12-5-6-13(8-11)18(12)3/h10-14H,4-9,16H2,1-3H3,(H,17,19)/t10?,11?,12?,13?,14-/m0/s1
InChIKeyYUYYUQRLNSJBCK-JVUSGKFHSA-N
MW267.42 g/mol
LogP1.35
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide

(2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide (PubChem CID 61173579) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide
PubChem CID61173579
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1CC2CCC(C1)N2C
InChIInChI=1S/C15H29N3O/c1-4-10(2)14(16)15(19)17-9-11-7-12-5-6-13(8-11)18(12)3/h10-14H,4-9,16H2,1-3H3,(H,17,19)/t10?,11?,12?,13?,14-/m0/s1
InChIKeyYUYYUQRLNSJBCK-JVUSGKFHSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide with MolForge

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Related Compounds

(2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide
CID 61149354
(2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide
CID 67292005
2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3-methylpentanamide
CID 54915645
2-amino-3-methyl-N-[(2-methylcyclopropyl)methyl]pentanamide
CID 115738399
2-amino-3-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pentanamide
CID 119806640
2-amino-N-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 51891967
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide
CID 61173867
2-amino-3-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pentanamide;hydrochloride
CID 119806639
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
(2S,3S)-2-[[4-[[[(2S,3R)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 40742726
(2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79363377
1-cyclopropyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]methanamine
CID 61013267

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide (CID 61173579) is (2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide is CCC(C)[C@H](N)C(=O)NCC1CC2CCC(C1)N2C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide?
The InChIKey is YUYYUQRLNSJBCK-JVUSGKFHSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-10(2)14(16)15(19)17-9-11-7-12-5-6-13(8-11)18(12)3/h10-14H,4-9,16H2,1-3H3,(H,17,19)/t10?,11?,12?,13?,14-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide?
(2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide has a molecular weight of 267.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide is sourced from PubChem (CID 61173579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).