(2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid

C15H28N2O3 — CID 103500332

IUPAC(2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)N1CCC(C(C)C)CC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-5-11(4)13(14(18)19)16-15(20)17-8-6-12(7-9-17)10(2)3/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)/t11?,13-/m0/s1
InChIKeyRFLFPZSPQZDUKC-YUZLPWPTSA-N
MW284.40 g/mol
LogP2.56
Rot. Bonds5

About (2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid

(2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid (PubChem CID 103500332) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid
PubChem CID103500332
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)N1CCC(C(C)C)CC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-5-11(4)13(14(18)19)16-15(20)17-8-6-12(7-9-17)10(2)3/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)/t11?,13-/m0/s1
InChIKeyRFLFPZSPQZDUKC-YUZLPWPTSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-[(4-aminopiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 61402964
(2S)-2-[(4-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 61422004
(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
CID 51420775
3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 61440018
(2S)-3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 61440255
(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 62931544
3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid
CID 61405662
(2S)-3-methyl-2-(1,4-thiazepane-4-carbonylamino)pentanoic acid
CID 61423283
(2S,3S)-3-methyl-2-[(4-methylsulfonylpiperazine-1-carbonyl)amino]pentanoic acid
CID 62992431
2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 102963015
(2S,3S)-2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonylamino)-3-methylpentanoic acid
CID 63155222
(2S)-2-(3,6-dihydro-2H-pyridine-1-carbonylamino)-3-methylpentanoic acid
CID 104921445

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid (CID 103500332) is (2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid is CCC(C)[C@H](NC(=O)N1CCC(C(C)C)CC1)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is RFLFPZSPQZDUKC-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-11(4)13(14(18)19)16-15(20)17-8-6-12(7-9-17)10(2)3/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)/t11?,13-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid?
(2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 103500332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).