(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid

C15H27N3O3 — CID 79165632

IUPAC(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)N1CCC2CCC(C1)N2C)C(=O)O
InChIInChI=1S/C15H27N3O3/c1-10(2)8-13(14(19)20)16-15(21)18-7-6-11-4-5-12(9-18)17(11)3/h10-13H,4-9H2,1-3H3,(H,16,21)(H,19,20)/t11?,12?,13-/m1/s1
InChIKeyCPZRTIPUQRCPKW-WXRRBKDZSA-N
MW297.40 g/mol
LogP1.36
Rot. Bonds4

About (2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid

(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid (PubChem CID 79165632) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid
PubChem CID79165632
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)N1CCC2CCC(C1)N2C)C(=O)O
InChIInChI=1S/C15H27N3O3/c1-10(2)8-13(14(19)20)16-15(21)18-7-6-11-4-5-12(9-18)17(11)3/h10-13H,4-9H2,1-3H3,(H,16,21)(H,19,20)/t11?,12?,13-/m1/s1
InChIKeyCPZRTIPUQRCPKW-WXRRBKDZSA-N
XLogP1.36
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

(2R)-4-methyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 78944969
(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 104874475
9-methyl-N-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115667395
(2R)-2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonylamino)-4-methylpentanoic acid
CID 79943683
2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61438947
5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid
CID 82846094
2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 62083485
2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61199167
(2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61203541
(2S)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61185431
3-methyl-2-[[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]methyl]butanoic acid
CID 79165647
(2S)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanedioic acid
CID 103942890

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid (CID 79165632) is (2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid is CC(C)C[C@@H](NC(=O)N1CCC2CCC(C1)N2C)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid?
The InChIKey is CPZRTIPUQRCPKW-WXRRBKDZSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-10(2)8-13(14(19)20)16-15(21)18-7-6-11-4-5-12(9-18)17(11)3/h10-13H,4-9H2,1-3H3,(H,16,21)(H,19,20)/t11?,12?,13-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 79165632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).