N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]acetamide

C14H25N3O5 — CID 40777915

IUPACN-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]acetamide
SMILESCC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)NC2CC2)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H25N3O5/c1-7(2)16-14(21)15-6-10-13(20)12(19)9(22-10)5-11(18)17-8-3-4-8/h7-10,12-13,19-20H,3-6H2,1-2H3,(H,17,18)(H2,15,16,21)/t9-,10+,12-,13+/m0/s1
InChIKeyYUENVDCKXVGOAI-JULQROHOSA-N
MW315.37 g/mol
LogP-1.15
Rot. Bonds6

About N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]acetamide

N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]acetamide (PubChem CID 40777915) has the molecular formula C14H25N3O5 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]acetamide
PubChem CID40777915
Molecular FormulaC14H25N3O5
Molecular Weight315.37 g/mol
Exact Mass315.18
IUPAC NameN-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]acetamide
SMILESCC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)NC2CC2)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H25N3O5/c1-7(2)16-14(21)15-6-10-13(20)12(19)9(22-10)5-11(18)17-8-3-4-8/h7-10,12-13,19-20H,3-6H2,1-2H3,(H,17,18)(H2,15,16,21)/t9-,10+,12-,13+/m0/s1
InChIKeyYUENVDCKXVGOAI-JULQROHOSA-N
XLogP-1.15
TPSA119.92 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 5-1.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]acetamide (CID 40777915) is N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]acetamide is CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)NC2CC2)[C@H](O)[C@@H]1O.
What is the InChIKey of N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]acetamide?
The InChIKey is YUENVDCKXVGOAI-JULQROHOSA-N. The full InChI is InChI=1S/C14H25N3O5/c1-7(2)16-14(21)15-6-10-13(20)12(19)9(22-10)5-11(18)17-8-3-4-8/h7-10,12-13,19-20H,3-6H2,1-2H3,(H,17,18)(H2,15,16,21)/t9-,10+,12-,13+/m0/s1.
What are the key properties of N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]acetamide?
N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]acetamide has a molecular weight of 315.37 g/mol, XLogP of -1.15, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]acetamide is sourced from PubChem (CID 40777915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).