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

C13H25N3O4 — CID 63550411

IUPAC2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid
SMILESCCN(CC)C1CCN(C(=O)NC(CCO)C(=O)O)C1
InChIInChI=1S/C13H25N3O4/c1-3-15(4-2)10-5-7-16(9-10)13(20)14-11(6-8-17)12(18)19/h10-11,17H,3-9H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyQDBXVBUMIWKLIP-UHFFFAOYSA-N
MW287.36 g/mol
LogP-0.05
Rot. Bonds7

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

2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid (PubChem CID 63550411) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid
PubChem CID63550411
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid
SMILESCCN(CC)C1CCN(C(=O)NC(CCO)C(=O)O)C1
InChIInChI=1S/C13H25N3O4/c1-3-15(4-2)10-5-7-16(9-10)13(20)14-11(6-8-17)12(18)19/h10-11,17H,3-9H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyQDBXVBUMIWKLIP-UHFFFAOYSA-N
XLogP-0.05
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-hydroxy-2-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 114005820
(2S)-4-hydroxy-2-[(3-hydroxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 107827615
(2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107828904
(2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 107827463
2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 114082317
(2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 80757373
(2R)-4-hydroxy-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 114005640
4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 102962820
4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61439608
4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 63977875
(2S)-2-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107827805
2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 54990215

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid (CID 63550411) is 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid is CCN(CC)C1CCN(C(=O)NC(CCO)C(=O)O)C1.
What is the InChIKey of 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid?
The InChIKey is QDBXVBUMIWKLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-3-15(4-2)10-5-7-16(9-10)13(20)14-11(6-8-17)12(18)19/h10-11,17H,3-9H2,1-2H3,(H,14,20)(H,18,19).
What are the key properties of 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid?
2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid has a molecular weight of 287.36 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 63550411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).