(2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid

C18H27N3O3 — CID 122050434

IUPAC(2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](Nc1ccc(C(=O)N2CCC(C)CC2)cn1)C(=O)O
InChIInChI=1S/C18H27N3O3/c1-4-13(3)16(18(23)24)20-15-6-5-14(11-19-15)17(22)21-9-7-12(2)8-10-21/h5-6,11-13,16H,4,7-10H2,1-3H3,(H,19,20)(H,23,24)/t13-,16-/m0/s1
InChIKeyIGTYAUMDGPAIOD-BBRMVZONSA-N
MW333.43 g/mol
LogP2.86
Rot. Bonds6

About (2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid

(2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid (PubChem CID 122050434) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid
PubChem CID122050434
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid
SMILESCC[C@H](C)[C@H](Nc1ccc(C(=O)N2CCC(C)CC2)cn1)C(=O)O
InChIInChI=1S/C18H27N3O3/c1-4-13(3)16(18(23)24)20-15-6-5-14(11-19-15)17(22)21-9-7-12(2)8-10-21/h5-6,11-13,16H,4,7-10H2,1-3H3,(H,19,20)(H,23,24)/t13-,16-/m0/s1
InChIKeyIGTYAUMDGPAIOD-BBRMVZONSA-N
XLogP2.86
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-[6-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3-pyridinyl]methanone
CID 133337250
4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid
CID 122064237
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
[6-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133346797
1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one
CID 133366494
(4-methylpiperidin-1-yl)-[6-[(2-propylcyclopropyl)amino]-3-pyridinyl]methanone
CID 133327530
[6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 111515872
[6-[(1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133329812
[6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152644
[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152614
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
[6-(1-hydroxybutan-2-ylamino)-3-pyridinyl]-[4-(3-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 123582810

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid (CID 122050434) is (2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid is CC[C@H](C)[C@H](Nc1ccc(C(=O)N2CCC(C)CC2)cn1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid?
The InChIKey is IGTYAUMDGPAIOD-BBRMVZONSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-13(3)16(18(23)24)20-15-6-5-14(11-19-15)17(22)21-9-7-12(2)8-10-21/h5-6,11-13,16H,4,7-10H2,1-3H3,(H,19,20)(H,23,24)/t13-,16-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid?
(2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid has a molecular weight of 333.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pentanoic acid is sourced from PubChem (CID 122050434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).