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

C9H17N3O4 — CID 89470212

IUPAC(2R)-2-[(3-amino-1-methylpyrrolidine-3-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCN1CCC(N)(C(=O)N[C@H](CO)C(=O)O)C1
InChIInChI=1S/C9H17N3O4/c1-12-3-2-9(10,5-12)8(16)11-6(4-13)7(14)15/h6,13H,2-5,10H2,1H3,(H,11,16)(H,14,15)/t6-,9?/m1/s1
InChIKeyFXGOWYNAPDDBDN-VJSCVCEBSA-N
MW231.25 g/mol
LogP-2.42
Rot. Bonds4

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

(2R)-2-[(3-amino-1-methylpyrrolidine-3-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 89470212) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2R)-2-[(3-amino-1-methylpyrrolidine-3-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-amino-1-methylpyrrolidine-3-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID89470212
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name(2R)-2-[(3-amino-1-methylpyrrolidine-3-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCN1CCC(N)(C(=O)N[C@H](CO)C(=O)O)C1
InChIInChI=1S/C9H17N3O4/c1-12-3-2-9(10,5-12)8(16)11-6(4-13)7(14)15/h6,13H,2-5,10H2,1H3,(H,11,16)(H,14,15)/t6-,9?/m1/s1
InChIKeyFXGOWYNAPDDBDN-VJSCVCEBSA-N
XLogP-2.42
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-2.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 80750294
(2S)-2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 107164775
2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid
CID 65463645
(2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 106320575
3-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115681
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid
CID 107824951
3-amino-N-ethyl-N,1-dimethylpyrrolidine-3-carboxamide
CID 167773512
2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid
CID 114279424
2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid
CID 61157147
2-[[1-(aminomethyl)-4-methylcyclohexanecarbonyl]amino]-3-hydroxypropanoic acid
CID 113310483
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 113310101
(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid
CID 79854103

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-amino-1-methylpyrrolidine-3-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(3-amino-1-methylpyrrolidine-3-carbonyl)amino]-3-hydroxypropanoic acid (CID 89470212) is (2R)-2-[(3-amino-1-methylpyrrolidine-3-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(3-amino-1-methylpyrrolidine-3-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(3-amino-1-methylpyrrolidine-3-carbonyl)amino]-3-hydroxypropanoic acid is CN1CCC(N)(C(=O)N[C@H](CO)C(=O)O)C1.
What is the InChIKey of (2R)-2-[(3-amino-1-methylpyrrolidine-3-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is FXGOWYNAPDDBDN-VJSCVCEBSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-12-3-2-9(10,5-12)8(16)11-6(4-13)7(14)15/h6,13H,2-5,10H2,1H3,(H,11,16)(H,14,15)/t6-,9?/m1/s1.
What are the key properties of (2R)-2-[(3-amino-1-methylpyrrolidine-3-carbonyl)amino]-3-hydroxypropanoic acid?
(2R)-2-[(3-amino-1-methylpyrrolidine-3-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 231.25 g/mol, XLogP of -2.42, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-amino-1-methylpyrrolidine-3-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 89470212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).