(2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid

C13H22N2O6 — CID 66255034

IUPAC(2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
SMILESCCCNC1COCC1C(=O)N[C@@H](CC(=O)OC)C(=O)O
InChIInChI=1S/C13H22N2O6/c1-3-4-14-10-7-21-6-8(10)12(17)15-9(13(18)19)5-11(16)20-2/h8-10,14H,3-7H2,1-2H3,(H,15,17)(H,18,19)/t8?,9-,10?/m0/s1
InChIKeyWPRDYXBDCUETRC-KYHHOPLUSA-N
MW302.33 g/mol
LogP-0.87
Rot. Bonds8

About (2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid

(2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid (PubChem CID 66255034) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
PubChem CID66255034
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name(2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
SMILESCCCNC1COCC1C(=O)N[C@@H](CC(=O)OC)C(=O)O
InChIInChI=1S/C13H22N2O6/c1-3-4-14-10-7-21-6-8(10)12(17)15-9(13(18)19)5-11(16)20-2/h8-10,14H,3-7H2,1-2H3,(H,15,17)(H,18,19)/t8?,9-,10?/m0/s1
InChIKeyWPRDYXBDCUETRC-KYHHOPLUSA-N
XLogP-0.87
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66254625
(2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66254627
(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255015
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
(2R)-2-[[4-(ethylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66258745
ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate
CID 66257122
N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 107221302
4-amino-2-[[4-(methylamino)oxolane-3-carbonyl]amino]-4-oxobutanoic acid
CID 66264849
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
(2R)-2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 114005252
N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255397
3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid
CID 81073307

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid?
The IUPAC name of (2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid (CID 66255034) is (2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for (2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid?
The canonical SMILES for (2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid is CCCNC1COCC1C(=O)N[C@@H](CC(=O)OC)C(=O)O.
What is the InChIKey of (2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid?
The InChIKey is WPRDYXBDCUETRC-KYHHOPLUSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-3-4-14-10-7-21-6-8(10)12(17)15-9(13(18)19)5-11(16)20-2/h8-10,14H,3-7H2,1-2H3,(H,15,17)(H,18,19)/t8?,9-,10?/m0/s1.
What are the key properties of (2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid?
(2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid has a molecular weight of 302.33 g/mol, XLogP of -0.87, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 66255034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).