(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid

C17H25N3O4 — CID 124929955

IUPAC(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CCCN([C@@H](C(=O)O)c2ccncc2)C1
InChIInChI=1S/C17H25N3O4/c1-17(2,3)24-16(23)19-13-5-4-10-20(11-13)14(15(21)22)12-6-8-18-9-7-12/h6-9,13-14H,4-5,10-11H2,1-3H3,(H,19,23)(H,21,22)/t13-,14+/m0/s1
InChIKeyKOVNJSQFKBLESW-UONOGXRCSA-N
MW335.40 g/mol
LogP2.20
Rot. Bonds4

About (2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid

(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid (PubChem CID 124929955) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid
PubChem CID124929955
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CCCN([C@@H](C(=O)O)c2ccncc2)C1
InChIInChI=1S/C17H25N3O4/c1-17(2,3)24-16(23)19-13-5-4-10-20(11-13)14(15(21)22)12-6-8-18-9-7-12/h6-9,13-14H,4-5,10-11H2,1-3H3,(H,19,23)(H,21,22)/t13-,14+/m0/s1
InChIKeyKOVNJSQFKBLESW-UONOGXRCSA-N
XLogP2.20
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid with MolForge

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Related Compounds

(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetic acid
CID 124704828
2-(4-methylphenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid
CID 84819716
(2R)-2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-thiophen-3-ylacetic acid
CID 124928954
2-(4-fluorophenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidin-1-yl]acetic acid
CID 131886638
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
tert-butyl N-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
CID 99725150
tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
CID 98232041
2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid
CID 136550153
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetate
CID 135312159
(2R)-2-(1H-indol-2-yl)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid
CID 99936285
tert-butyl N-[(3S)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]piperidin-3-yl]carbamate
CID 97175587
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid?
The IUPAC name of (2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid (CID 124929955) is (2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid.
What is the SMILES notation for (2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid?
The canonical SMILES for (2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid is CC(C)(C)OC(=O)N[C@H]1CCCN([C@@H](C(=O)O)c2ccncc2)C1.
What is the InChIKey of (2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid?
The InChIKey is KOVNJSQFKBLESW-UONOGXRCSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-17(2,3)24-16(23)19-13-5-4-10-20(11-13)14(15(21)22)12-6-8-18-9-7-12/h6-9,13-14H,4-5,10-11H2,1-3H3,(H,19,23)(H,21,22)/t13-,14+/m0/s1.
What are the key properties of (2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid?
(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid has a molecular weight of 335.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid is sourced from PubChem (CID 124929955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).