(2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid

C9H16N2O4 — CID 80750843

IUPAC(2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC1NCCC1C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-5-6(2-3-10-5)8(13)11-7(4-12)9(14)15/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)/t5?,6?,7-/m1/s1
InChIKeyRYANCHWQEABKLS-KPGICGJXSA-N
MW216.24 g/mol
LogP-1.45
Rot. Bonds4

About (2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid

(2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid (PubChem CID 80750843) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
PubChem CID80750843
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
SMILESCC1NCCC1C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C9H16N2O4/c1-5-6(2-3-10-5)8(13)11-7(4-12)9(14)15/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)/t5?,6?,7-/m1/s1
InChIKeyRYANCHWQEABKLS-KPGICGJXSA-N
XLogP-1.45
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79388540
(2S)-4-methoxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]-4-oxobutanoic acid
CID 79384306
3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 106739595
(2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 80747756
3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79388459
(2R)-3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79385021
(2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 107068392
(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
CID 80751621
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783
N,2-dimethylpyrrolidine-3-carboxamide
CID 79382983
3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913543
(2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825151

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid (CID 80750843) is (2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid is CC1NCCC1C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
The InChIKey is RYANCHWQEABKLS-KPGICGJXSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-5-6(2-3-10-5)8(13)11-7(4-12)9(14)15/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)/t5?,6?,7-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid?
(2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 80750843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).