(2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid

C10H18N2O4 — CID 107825151

IUPAC(2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid
SMILESCC1CCNC1C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6-2-4-11-8(6)9(14)12-7(3-5-13)10(15)16/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)/t6?,7-,8?/m1/s1
InChIKeyISUROSBQKINGEC-ZUEIMRROSA-N
MW230.26 g/mol
LogP-1.06
Rot. Bonds5

About (2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid

(2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid (PubChem CID 107825151) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid
PubChem CID107825151
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid
SMILESCC1CCNC1C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-6-2-4-11-8(6)9(14)12-7(3-5-13)10(15)16/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)/t6?,7-,8?/m1/s1
InChIKeyISUROSBQKINGEC-ZUEIMRROSA-N
XLogP-1.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid (CID 107825151) is (2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid is CC1CCNC1C(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid?
The InChIKey is ISUROSBQKINGEC-ZUEIMRROSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6-2-4-11-8(6)9(14)12-7(3-5-13)10(15)16/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)/t6?,7-,8?/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid has a molecular weight of 230.26 g/mol, XLogP of -1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(3-methylpyrrolidine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107825151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).