N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide

C14H24N2O5 — CID 25390419

IUPACN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESCC(C)NC(=O)C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H24N2O5/c1-7(2)16-11(17)5-9-12(18)13(19)10(21-9)6-15-14(20)8-3-4-8/h7-10,12-13,18-19H,3-6H2,1-2H3,(H,15,20)(H,16,17)/t9-,10+,12-,13+/m0/s1
InChIKeyJZAGMCTVWGDPFY-JULQROHOSA-N
MW300.36 g/mol
LogP-1.08
Rot. Bonds6

About N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide

N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 25390419) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide
PubChem CID25390419
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC NameN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESCC(C)NC(=O)C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H24N2O5/c1-7(2)16-11(17)5-9-12(18)13(19)10(21-9)6-15-14(20)8-3-4-8/h7-10,12-13,18-19H,3-6H2,1-2H3,(H,15,20)(H,16,17)/t9-,10+,12-,13+/m0/s1
InChIKeyJZAGMCTVWGDPFY-JULQROHOSA-N
XLogP-1.08
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide (CID 25390419) is N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide is CC(C)NC(=O)C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is JZAGMCTVWGDPFY-JULQROHOSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-7(2)16-11(17)5-9-12(18)13(19)10(21-9)6-15-14(20)8-3-4-8/h7-10,12-13,18-19H,3-6H2,1-2H3,(H,15,20)(H,16,17)/t9-,10+,12-,13+/m0/s1.
What are the key properties of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide?
N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 300.36 g/mol, XLogP of -1.08, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 25390419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).