(2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid

C11H20N2O5 — CID 107840207

IUPAC(2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
SMILESCOCC1CCN(C(=O)NCC[C@H](O)C(=O)O)C1
InChIInChI=1S/C11H20N2O5/c1-18-7-8-3-5-13(6-8)11(17)12-4-2-9(14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t8?,9-/m0/s1
InChIKeyOETHJDMLRWMVFC-GKAPJAKFSA-N
MW260.29 g/mol
LogP-0.50
Rot. Bonds6

About (2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid

(2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid (PubChem CID 107840207) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
PubChem CID107840207
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
SMILESCOCC1CCN(C(=O)NCC[C@H](O)C(=O)O)C1
InChIInChI=1S/C11H20N2O5/c1-18-7-8-3-5-13(6-8)11(17)12-4-2-9(14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t8?,9-/m0/s1
InChIKeyOETHJDMLRWMVFC-GKAPJAKFSA-N
XLogP-0.50
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107835108
2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107840959
2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841501
(2S)-2-hydroxy-4-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 107838122
(2S)-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-hydroxybutanoic acid
CID 107838542
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)-2-hydroxybutanoic acid
CID 107838571
(2S)-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 64597217
(2S)-2-hydroxy-4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107839880
N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64596602
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]hexanoic acid
CID 64598838
4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107837748
(2S)-2-hydroxy-4-[(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]butanoic acid
CID 107840639

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid (CID 107840207) is (2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid is COCC1CCN(C(=O)NCC[C@H](O)C(=O)O)C1.
What is the InChIKey of (2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid?
The InChIKey is OETHJDMLRWMVFC-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-18-7-8-3-5-13(6-8)11(17)12-4-2-9(14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid?
(2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 107840207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).