N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide

C8H15NO3 — CID 165476452

IUPACN-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NC[C@@H](O)CO)CC1
InChIInChI=1S/C8H15NO3/c1-8(2-3-8)7(12)9-4-6(11)5-10/h6,10-11H,2-5H2,1H3,(H,9,12)/t6-/m1/s1
InChIKeyUPLAUQPBUWZYDW-ZCFIWIBFSA-N
MW173.21 g/mol
LogP-0.74
Rot. Bonds4

About N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide

N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 165476452) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide
PubChem CID165476452
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NC[C@@H](O)CO)CC1
InChIInChI=1S/C8H15NO3/c1-8(2-3-8)7(12)9-4-6(11)5-10/h6,10-11H,2-5H2,1H3,(H,9,12)/t6-/m1/s1
InChIKeyUPLAUQPBUWZYDW-ZCFIWIBFSA-N
XLogP-0.74
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide
CID 66169338
N-(2,2-difluoroethyl)-1-methylcyclopropane-1-carboxamide
CID 126994567
N-(2,3-dihydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596953
1-(aminomethyl)-N-(2,3-dihydroxypropyl)cyclopropane-1-carboxamide
CID 115453464
2-amino-N-(2,3-dihydroxypropyl)-1-methylcyclopentane-1-carboxamide
CID 82768544
N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
CID 83072487
(2S)-2-hydroxy-3-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 107833610
N-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide
CID 110027941
N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
[(2R)-2,3-dihydroxypropyl]urea
CID 88558789
N-(methoxymethyl)-1-methylcyclopropane-1-carboxamide
CID 67345335
N-(3-hydroxypentyl)-1-methylcyclopentane-1-carboxamide
CID 115703914

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide (CID 165476452) is N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NC[C@@H](O)CO)CC1.
What is the InChIKey of N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is UPLAUQPBUWZYDW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2-3-8)7(12)9-4-6(11)5-10/h6,10-11H,2-5H2,1H3,(H,9,12)/t6-/m1/s1.
What are the key properties of N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide?
N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 173.21 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 165476452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).