2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid

C10H17N3O5 — CID 114082317

IUPAC2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
SMILESNC(=O)C1CCN(C(=O)NC(CCO)C(=O)O)C1
InChIInChI=1S/C10H17N3O5/c11-8(15)6-1-3-13(5-6)10(18)12-7(2-4-14)9(16)17/h6-7,14H,1-5H2,(H2,11,15)(H,12,18)(H,16,17)
InChIKeyNHZFYJQWGUDXHN-UHFFFAOYSA-N
MW259.26 g/mol
LogP-1.66
Rot. Bonds5

About 2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid

2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 114082317) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID114082317
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
SMILESNC(=O)C1CCN(C(=O)NC(CCO)C(=O)O)C1
InChIInChI=1S/C10H17N3O5/c11-8(15)6-1-3-13(5-6)10(18)12-7(2-4-14)9(16)17/h6-7,14H,1-5H2,(H2,11,15)(H,12,18)(H,16,17)
InChIKeyNHZFYJQWGUDXHN-UHFFFAOYSA-N
XLogP-1.66
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107825829
(2S)-4-hydroxy-2-[(3-hydroxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 107827615
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566036
(2R)-4-hydroxy-2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 114005820
4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61439608
(2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107828904
2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid
CID 63550411
(2R)-4-hydroxy-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 114005640
(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107826333
(2S)-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-4-hydroxybutanoic acid
CID 107828364
(2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107828179
(2S)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61185431

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid (CID 114082317) is 2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid is NC(=O)C1CCN(C(=O)NC(CCO)C(=O)O)C1.
What is the InChIKey of 2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is NHZFYJQWGUDXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c11-8(15)6-1-3-13(5-6)10(18)12-7(2-4-14)9(16)17/h6-7,14H,1-5H2,(H2,11,15)(H,12,18)(H,16,17).
What are the key properties of 2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid?
2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 259.26 g/mol, XLogP of -1.66, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 114082317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).