(2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid

C10H18N2O5 — CID 107825023

IUPAC(2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid
SMILESCOC1CNC(C(=O)N[C@@H](CCO)C(=O)O)C1
InChIInChI=1S/C10H18N2O5/c1-17-6-4-8(11-5-6)9(14)12-7(2-3-13)10(15)16/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)/t6?,7-,8?/m0/s1
InChIKeyHDPZAIGYBLXGPJ-WTIBDHCWSA-N
MW246.26 g/mol
LogP-1.68
Rot. Bonds6

About (2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid

(2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid (PubChem CID 107825023) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid
PubChem CID107825023
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid
SMILESCOC1CNC(C(=O)N[C@@H](CCO)C(=O)O)C1
InChIInChI=1S/C10H18N2O5/c1-17-6-4-8(11-5-6)9(14)12-7(2-3-13)10(15)16/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)/t6?,7-,8?/m0/s1
InChIKeyHDPZAIGYBLXGPJ-WTIBDHCWSA-N
XLogP-1.68
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid
CID 61214957
(2S)-2-[(4-methoxypyrrolidine-2-carbonyl)amino]hexanoic acid
CID 107146846
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid
CID 113416438
4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide
CID 61254446
N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide
CID 54968386
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid
CID 62478644
4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
CID 115753473
N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 115753457
N-(1-cyclopropylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61213308
4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 81072617
4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 104901043

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid (CID 107825023) is (2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid is COC1CNC(C(=O)N[C@@H](CCO)C(=O)O)C1.
What is the InChIKey of (2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid?
The InChIKey is HDPZAIGYBLXGPJ-WTIBDHCWSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-17-6-4-8(11-5-6)9(14)12-7(2-3-13)10(15)16/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)/t6?,7-,8?/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid?
(2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid has a molecular weight of 246.26 g/mol, XLogP of -1.68, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107825023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).