N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide

C10H19NO4 — CID 65312487

IUPACN-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NC(CO)CO
InChIInChI=1S/C10H19NO4/c12-6-8(7-13)11-10(14)4-3-9-2-1-5-15-9/h8-9,12-13H,1-7H2,(H,11,14)
InChIKeyMBXQMOIWKKIFBN-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.58
Rot. Bonds6

About N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide

N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide (PubChem CID 65312487) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide
PubChem CID65312487
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NC(CO)CO
InChIInChI=1S/C10H19NO4/c12-6-8(7-13)11-10(14)4-3-9-2-1-5-15-9/h8-9,12-13H,1-7H2,(H,11,14)
InChIKeyMBXQMOIWKKIFBN-UHFFFAOYSA-N
XLogP-0.58
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(oxolan-2-yl)propanamide
CID 107861226
N-(1-bromo-4-methylpentan-2-yl)-3-(oxolan-2-yl)propanamide
CID 114311800
3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
CID 81362728
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
(2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide
CID 94114407
N-(1-chloro-4-methylpentan-2-yl)-3-(oxan-2-yl)propanamide
CID 113272518
(2S)-4-hydroxy-2-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 107821935
4-amino-4-oxo-2-[3-(oxolan-2-yl)propanoylamino]butanoic acid
CID 43357092
(2S)-4-amino-4-oxo-2-[3-(oxolan-2-yl)propanoylamino]butanoic acid
CID 55230932
N-(1-chloro-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
CID 106183350
N-(1-amino-3-methoxypropan-2-yl)-3-(oxan-2-yl)propanamide
CID 106180827
N-(1-chloropropan-2-yl)-3-(oxan-2-yl)propanamide
CID 114299597

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide (CID 65312487) is N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide?
The InChIKey is MBXQMOIWKKIFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c12-6-8(7-13)11-10(14)4-3-9-2-1-5-15-9/h8-9,12-13H,1-7H2,(H,11,14).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide?
N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide has a molecular weight of 217.26 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 65312487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).