(2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid

C14H27N3O3 — CID 78946628

IUPAC(2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)N1CCN(C)C(C)(C)C1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-10(2)8-11(12(18)19)15-13(20)17-7-6-16(5)14(3,4)9-17/h10-11H,6-9H2,1-5H3,(H,15,20)(H,18,19)/t11-/m1/s1
InChIKeyRJMDSZSFRZTPSE-LLVKDONJSA-N
MW285.39 g/mol
LogP1.22
Rot. Bonds4

About (2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid

(2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid (PubChem CID 78946628) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid
PubChem CID78946628
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name(2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)N1CCN(C)C(C)(C)C1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-10(2)8-11(12(18)19)15-13(20)17-7-6-16(5)14(3,4)9-17/h10-11H,6-9H2,1-5H3,(H,15,20)(H,18,19)/t11-/m1/s1
InChIKeyRJMDSZSFRZTPSE-LLVKDONJSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid
CID 63615061
(2S)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 78956516
3,3,4-trimethyl-N-propan-2-ylpiperazine-1-carboxamide
CID 116656011
(2S,3S)-3-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid
CID 63614221
(2S)-2-[(4-formylpiperazine-1-carbonyl)amino]-4-methylpentanoic acid
CID 28509444
(2S)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]-4-methylpentanoic acid
CID 107405656
(2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid
CID 78976051
2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
CID 61428446
(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid
CID 79165632
(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 104874475
2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61199167
2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 62083485

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid (CID 78946628) is (2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid is CC(C)C[C@@H](NC(=O)N1CCN(C)C(C)(C)C1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid?
The InChIKey is RJMDSZSFRZTPSE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-10(2)8-11(12(18)19)15-13(20)17-7-6-16(5)14(3,4)9-17/h10-11H,6-9H2,1-5H3,(H,15,20)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.22, 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-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 78946628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).