methyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate

C14H26N2O4 — CID 107225603

IUPACmethyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CN1CCC[C@H](O)C1
InChIInChI=1S/C14H26N2O4/c1-10(2)7-12(14(19)20-3)15-13(18)9-16-6-4-5-11(17)8-16/h10-12,17H,4-9H2,1-3H3,(H,15,18)/t11-,12?/m0/s1
InChIKeyNAXDFSHWOLSTIK-PXYINDEMSA-N
MW286.37 g/mol
LogP0.15
Rot. Bonds6

About methyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate

methyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate (PubChem CID 107225603) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate
PubChem CID107225603
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namemethyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)CN1CCC[C@H](O)C1
InChIInChI=1S/C14H26N2O4/c1-10(2)7-12(14(19)20-3)15-13(18)9-16-6-4-5-11(17)8-16/h10-12,17H,4-9H2,1-3H3,(H,15,18)/t11-,12?/m0/s1
InChIKeyNAXDFSHWOLSTIK-PXYINDEMSA-N
XLogP0.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate with MolForge

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Related Compounds

methyl 2-[[2-[(3R)-3-aminopyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate
CID 115301996
methyl 2-[[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetyl]amino]-4-methylpentanoate
CID 79411094
(2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide
CID 164701774
methyl 2-bromo-3-(3-hydroxypiperidin-1-yl)propanoate
CID 81100552
N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 62022097
2-[[2-(azepan-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 82042989
N-[(2R)-butan-2-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 129368574
methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate
CID 531445
methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate
CID 60687231
[1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
CID 62918442
2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61438947
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 78930704

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate (CID 107225603) is methyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)CN1CCC[C@H](O)C1.
What is the InChIKey of methyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate?
The InChIKey is NAXDFSHWOLSTIK-PXYINDEMSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(2)7-12(14(19)20-3)15-13(18)9-16-6-4-5-11(17)8-16/h10-12,17H,4-9H2,1-3H3,(H,15,18)/t11-,12?/m0/s1.
What are the key properties of methyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate?
methyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate has a molecular weight of 286.37 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]-4-methylpentanoate is sourced from PubChem (CID 107225603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).