3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

C10H17N3O5 — CID 66174648

IUPAC3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)N1CCCC1C(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O5/c1-10(18,8(15)16)5-12-9(17)13-4-2-3-6(13)7(11)14/h6,18H,2-5H2,1H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyMEMQGGXDXBBVQM-UHFFFAOYSA-N
MW259.26 g/mol
LogP-1.52
Rot. Bonds4

About 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66174648) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66174648
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)N1CCCC1C(N)=O)C(=O)O
InChIInChI=1S/C10H17N3O5/c1-10(18,8(15)16)5-12-9(17)13-4-2-3-6(13)7(11)14/h6,18H,2-5H2,1H3,(H2,11,14)(H,12,17)(H,15,16)
InChIKeyMEMQGGXDXBBVQM-UHFFFAOYSA-N
XLogP-1.52
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid
CID 66175944
3-[(3-carbamoylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 83095827
4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001227
3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670104
(2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 107838232
3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65263596
(2R)-1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 78923191
1-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61181569
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
(2S)-1-[2-(carbamothioylamino)acetyl]pyrrolidine-2-carboxamide;ethane
CID 143879715
4-[[(2-carbamoylpyrrolidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79524794
1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 113364443

Frequently Asked Questions

What is the IUPAC name of 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66174648) is 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)N1CCCC1C(N)=O)C(=O)O.
What is the InChIKey of 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is MEMQGGXDXBBVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-10(18,8(15)16)5-12-9(17)13-4-2-3-6(13)7(11)14/h6,18H,2-5H2,1H3,(H2,11,14)(H,12,17)(H,15,16).
What are the key properties of 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 259.26 g/mol, XLogP of -1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66174648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).