6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid

C13H24N2O4 — CID 65285883

IUPAC6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)C1CC(O)CN1)CCC(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(2,4-3-11(17)18)5-6-14-12(19)10-7-9(16)8-15-10/h9-10,15-16H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyFNYRMHISPRNYPV-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.11
Rot. Bonds7

About 6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid

6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 65285883) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
PubChem CID65285883
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)C1CC(O)CN1)CCC(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(2,4-3-11(17)18)5-6-14-12(19)10-7-9(16)8-15-10/h9-10,15-16H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyFNYRMHISPRNYPV-UHFFFAOYSA-N
XLogP0.11
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid
CID 104914105
2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 92860822
4,4-dimethyl-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]hexanoic acid
CID 65284544
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943524
(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130652446
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030
6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid
CID 65285791
4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
CID 114824492
N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 131159808
4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide
CID 61275212

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid (CID 65285883) is 6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid is CC(C)(CCNC(=O)C1CC(O)CN1)CCC(=O)O.
What is the InChIKey of 6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is FNYRMHISPRNYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,4-3-11(17)18)5-6-14-12(19)10-7-9(16)8-15-10/h9-10,15-16H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid?
6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.11, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65285883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).