(2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid

C10H19N3O4 — CID 80757373

IUPAC(2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
SMILESCN(C)C1CCN(C(=O)N[C@H](CO)C(=O)O)C1
InChIInChI=1S/C10H19N3O4/c1-12(2)7-3-4-13(5-7)10(17)11-8(6-14)9(15)16/h7-8,14H,3-6H2,1-2H3,(H,11,17)(H,15,16)/t7?,8-/m1/s1
InChIKeyUNVQYAKFKHLUOC-BRFYHDHCSA-N
MW245.28 g/mol
LogP-1.22
Rot. Bonds4

About (2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid

(2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid (PubChem CID 80757373) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
PubChem CID80757373
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
SMILESCN(C)C1CCN(C(=O)N[C@H](CO)C(=O)O)C1
InChIInChI=1S/C10H19N3O4/c1-12(2)7-3-4-13(5-7)10(17)11-8(6-14)9(15)16/h7-8,14H,3-6H2,1-2H3,(H,11,17)(H,15,16)/t7?,8-/m1/s1
InChIKeyUNVQYAKFKHLUOC-BRFYHDHCSA-N
XLogP-1.22
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 102961873
3-hydroxy-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 112626765
(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 80750387
3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188214
(2S)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 103942898
2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid
CID 63550411
3-hydroxy-2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106836832
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-methylbutanoic acid
CID 80541126
3-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61439141
(2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
CID 78967875
3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106588055
3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 54989771

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid (CID 80757373) is (2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid is CN(C)C1CCN(C(=O)N[C@H](CO)C(=O)O)C1.
What is the InChIKey of (2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid?
The InChIKey is UNVQYAKFKHLUOC-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-12(2)7-3-4-13(5-7)10(17)11-8(6-14)9(15)16/h7-8,14H,3-6H2,1-2H3,(H,11,17)(H,15,16)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80757373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).