3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid

C10H18N2O4 — CID 66003959

IUPAC3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid
SMILESCC(O)(CNC(=O)C1CCNC1)CC(=O)O
InChIInChI=1S/C10H18N2O4/c1-10(16,4-8(13)14)6-12-9(15)7-2-3-11-5-7/h7,11,16H,2-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyNQNMDDYMKSHTLC-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.06
Rot. Bonds5

About 3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid

3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid (PubChem CID 66003959) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid
PubChem CID66003959
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid
SMILESCC(O)(CNC(=O)C1CCNC1)CC(=O)O
InChIInChI=1S/C10H18N2O4/c1-10(16,4-8(13)14)6-12-9(15)7-2-3-11-5-7/h7,11,16H,2-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyNQNMDDYMKSHTLC-UHFFFAOYSA-N
XLogP-1.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81133727
N-(2-hydroxy-2-methylbutyl)pyrrolidine-3-carboxamide
CID 65106728
2-hydroxy-2-methyl-3-(pyrrolidine-3-carbonylamino)propanoic acid
CID 66177040
N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide
CID 83617629
3-hydroxy-3-methyl-4-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 66003003
4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 79527583
(3S)-N-(2-hydroxy-4-methoxy-2-methylbutyl)piperidine-3-carboxamide
CID 106254036
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide
CID 106176720
N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidine-3-carboxamide
CID 115159666
3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 66003598
N-(2,2-dimethyl-3-phenylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119794374
7-(pyrrolidine-3-carbonylamino)heptanoic acid
CID 63005734

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid?
The IUPAC name of 3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid (CID 66003959) is 3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid is CC(O)(CNC(=O)C1CCNC1)CC(=O)O.
What is the InChIKey of 3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid?
The InChIKey is NQNMDDYMKSHTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(16,4-8(13)14)6-12-9(15)7-2-3-11-5-7/h7,11,16H,2-6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid?
3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid has a molecular weight of 230.26 g/mol, XLogP of -1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-4-(pyrrolidine-3-carbonylamino)butanoic acid is sourced from PubChem (CID 66003959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).