3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid

C19H30N2O4 — CID 145044145

IUPAC3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid
SMILESCCC(C)C(C(=O)O)N(CCCc1cccnc1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O4/c1-6-14(2)16(17(22)23)21(18(24)25-19(3,4)5)12-8-10-15-9-7-11-20-13-15/h7,9,11,13-14,16H,6,8,10,12H2,1-5H3,(H,22,23)
InChIKeyKUUBRXYZPCZJJO-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.75
Rot. Bonds8

About 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid

3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid (PubChem CID 145044145) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid
PubChem CID145044145
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid
SMILESCCC(C)C(C(=O)O)N(CCCc1cccnc1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O4/c1-6-14(2)16(17(22)23)21(18(24)25-19(3,4)5)12-8-10-15-9-7-11-20-13-15/h7,9,11,13-14,16H,6,8,10,12H2,1-5H3,(H,22,23)
InChIKeyKUUBRXYZPCZJJO-UHFFFAOYSA-N
XLogP3.75
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]butanoic acid
CID 118973535
3-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]propanoic acid
CID 118973522
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-3-ylpropanoic acid
CID 69352582
tert-butyl N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)carbamate
CID 63788521
tert-butyl N-[(2S)-1-[1,7-dipyridin-3-ylheptan-4-yl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 58699972
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
tert-butyl N-[3-[(2-methylcyclopropanecarbonyl)amino]propyl]-N-(pyridin-3-ylmethyl)carbamate
CID 47061357
(2S)-2-[3-(3-hydroxyphenyl)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
CID 118973547
tert-butyl N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]propyl]-N-(pyridin-3-ylmethyl)carbamate
CID 55884737
(2S,3S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylpentanoic acid
CID 22806266
tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate
CID 101149304
tert-butyl N-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]carbamate
CID 103647372

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid (CID 145044145) is 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid is CCC(C)C(C(=O)O)N(CCCc1cccnc1)C(=O)OC(C)(C)C.
What is the InChIKey of 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid?
The InChIKey is KUUBRXYZPCZJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-6-14(2)16(17(22)23)21(18(24)25-19(3,4)5)12-8-10-15-9-7-11-20-13-15/h7,9,11,13-14,16H,6,8,10,12H2,1-5H3,(H,22,23).
What are the key properties of 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid?
3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid has a molecular weight of 350.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylpropyl)amino]pentanoic acid is sourced from PubChem (CID 145044145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).