4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid

C10H19N3O4 — CID 54949791

IUPAC4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
SMILESCN1CCC(NC(=O)NC(CCO)C(=O)O)C1
InChIInChI=1S/C10H19N3O4/c1-13-4-2-7(6-13)11-10(17)12-8(3-5-14)9(15)16/h7-8,14H,2-6H2,1H3,(H,15,16)(H2,11,12,17)
InChIKeyCYYBGIBTLWYJNS-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.17
Rot. Bonds5

About 4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid

4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid (PubChem CID 54949791) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
PubChem CID54949791
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
SMILESCN1CCC(NC(=O)NC(CCO)C(=O)O)C1
InChIInChI=1S/C10H19N3O4/c1-13-4-2-7(6-13)11-10(17)12-8(3-5-14)9(15)16/h7-8,14H,2-6H2,1H3,(H,15,16)(H2,11,12,17)
InChIKeyCYYBGIBTLWYJNS-UHFFFAOYSA-N
XLogP-1.17
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 107826759
(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 107826156
(2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 107566455
2-[(1-methylpiperidin-4-yl)carbamoylamino]pentanedioic acid
CID 61198418
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945
(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 107826347
1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea
CID 117234415
(2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid
CID 107829012
(2S)-4-hydroxy-2-[(1-methylpiperidin-3-yl)methylcarbamoylamino]butanoic acid
CID 107827202
(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
CID 107823850
(2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 107566680

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid (CID 54949791) is 4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid is CN1CCC(NC(=O)NC(CCO)C(=O)O)C1.
What is the InChIKey of 4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid?
The InChIKey is CYYBGIBTLWYJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-13-4-2-7(6-13)11-10(17)12-8(3-5-14)9(15)16/h7-8,14H,2-6H2,1H3,(H,15,16)(H2,11,12,17).
What are the key properties of 4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid?
4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.17, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 54949791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).