N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide

C12H24N2O3 — CID 107221302

IUPACN-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N[C@H](CC)CO
InChIInChI=1S/C12H24N2O3/c1-3-5-13-11-8-17-7-10(11)12(16)14-9(4-2)6-15/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)/t9-,10?,11?/m1/s1
InChIKeyFBDGQZNGBUJGEK-KPPDAEKUSA-N
MW244.33 g/mol
LogP-0.11
Rot. Bonds7

About N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide

N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide (PubChem CID 107221302) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide
PubChem CID107221302
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N[C@H](CC)CO
InChIInChI=1S/C12H24N2O3/c1-3-5-13-11-8-17-7-10(11)12(16)14-9(4-2)6-15/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)/t9-,10?,11?/m1/s1
InChIKeyFBDGQZNGBUJGEK-KPPDAEKUSA-N
XLogP-0.11
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 66257493
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
(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
4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 66240011
ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate
CID 66257122
N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 66255598
4-amino-4-oxo-2-[[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66254625
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
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide (CID 107221302) is N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)N[C@H](CC)CO.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is FBDGQZNGBUJGEK-KPPDAEKUSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-5-13-11-8-17-7-10(11)12(16)14-9(4-2)6-15/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)/t9-,10?,11?/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide?
N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 244.33 g/mol, XLogP of -0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 107221302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).