3-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pyrrolidine-1-carboxylic acid

C15H21N3O5 — CID 68831788

IUPAC3-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cnccc1C1(O)CCN(C(=O)O)C1
InChIInChI=1S/C15H21N3O5/c1-14(2,3)23-12(19)17-11-8-16-6-4-10(11)15(22)5-7-18(9-15)13(20)21/h4,6,8,22H,5,7,9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyFRLIROOBMXTCDM-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.00
Rot. Bonds2

About 3-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pyrrolidine-1-carboxylic acid

3-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pyrrolidine-1-carboxylic acid (PubChem CID 68831788) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pyrrolidine-1-carboxylic acid
PubChem CID68831788
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name3-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cnccc1C1(O)CCN(C(=O)O)C1
InChIInChI=1S/C15H21N3O5/c1-14(2,3)23-12(19)17-11-8-16-6-4-10(11)15(22)5-7-18(9-15)13(20)21/h4,6,8,22H,5,7,9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyFRLIROOBMXTCDM-UHFFFAOYSA-N
XLogP2.00
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Sdccgsbi-0662537.P001
CID 134792315
CID 134793872
CID 134793872
methyl 2-oxospiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-1'-carboxylate
CID 134797118
spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one;2,2,2-trifluoroacetic acid
CID 68830991
Benzyl3-(3-aminopyridin-4-yl)-3-hydroxypyrrolidine-1-carboxylate bis(trifluoroacetate)
CID 86602282
3-(3-Amino-4-pyridinyl)-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 87592200
3-(3-Amino-4-pyridinyl)-2-benzyl-3-hydroxypyrrolidine-1-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 87836718
tert-Butyl (6-fluoro-4-(hydroxymethyl)pyridin-3-yl)carbamate
CID 130951307
tert-butyl N-[3-(5-amino-6-fluoro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170831758
tert-Butyl 4-(2-pyrrolidin-1-ylethyl)pyridin-3-ylcarbamate
CID 9900657
Tert-butyl 4-hydroxy-4-pyridin-4-ylpiperidine-1-carboxylate
CID 11076767
tert-butyl N-[4-[hydroxy(phenyl)methyl]-3-pyridinyl]carbamate
CID 13835874

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pyrrolidine-1-carboxylic acid (CID 68831788) is 3-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pyrrolidine-1-carboxylic acid is CC(C)(C)OC(=O)Nc1cnccc1C1(O)CCN(C(=O)O)C1.
What is the InChIKey of 3-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pyrrolidine-1-carboxylic acid?
The InChIKey is FRLIROOBMXTCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-14(2,3)23-12(19)17-11-8-16-6-4-10(11)15(22)5-7-18(9-15)13(20)21/h4,6,8,22H,5,7,9H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 3-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pyrrolidine-1-carboxylic acid?
3-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pyrrolidine-1-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68831788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).