(2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid

C11H20N2O5 — CID 66254627

IUPAC(2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
SMILESCCCNC1COCC1C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-2-3-12-9-6-18-5-7(9)10(15)13-8(4-14)11(16)17/h7-9,12,14H,2-6H2,1H3,(H,13,15)(H,16,17)/t7?,8-,9?/m0/s1
InChIKeyDKFRROTYFUDXMZ-MGURRDGZSA-N
MW260.29 g/mol
LogP-1.44
Rot. Bonds7

About (2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid

(2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid (PubChem CID 66254627) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
PubChem CID66254627
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
SMILESCCCNC1COCC1C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-2-3-12-9-6-18-5-7(9)10(15)13-8(4-14)11(16)17/h7-9,12,14H,2-6H2,1H3,(H,13,15)(H,16,17)/t7?,8-,9?/m0/s1
InChIKeyDKFRROTYFUDXMZ-MGURRDGZSA-N
XLogP-1.44
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255015
4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66254625
(2S)-4-methoxy-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66255034
(2R)-3-hydroxy-2-[[4-(methylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 80750308
N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 107221302
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
(2R)-2-[[4-(ethylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66258745
(2R)-2-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 114005252
ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate
CID 66257122
N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 66255598
3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid
CID 81073307
2-methyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
CID 116587700

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid (CID 66254627) is (2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid is CCCNC1COCC1C(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid?
The InChIKey is DKFRROTYFUDXMZ-MGURRDGZSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-2-3-12-9-6-18-5-7(9)10(15)13-8(4-14)11(16)17/h7-9,12,14H,2-6H2,1H3,(H,13,15)(H,16,17)/t7?,8-,9?/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid?
(2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of -1.44, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 66254627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).