N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide

C16H30N2O3 — CID 75367072

IUPACN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESCC(C)(C)CN[C@@H]1CO[C@H](CNC(=O)C2CCCC2)[C@H]1O
InChIInChI=1S/C16H30N2O3/c1-16(2,3)10-18-12-9-21-13(14(12)19)8-17-15(20)11-6-4-5-7-11/h11-14,18-19H,4-10H2,1-3H3,(H,17,20)/t12-,13-,14+/m1/s1
InChIKeyWRKFIVYENGCYPA-MCIONIFRSA-N
MW298.43 g/mol
LogP1.06
Rot. Bonds5

About N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide

N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide (PubChem CID 75367072) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
PubChem CID75367072
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESCC(C)(C)CN[C@@H]1CO[C@H](CNC(=O)C2CCCC2)[C@H]1O
InChIInChI=1S/C16H30N2O3/c1-16(2,3)10-18-12-9-21-13(14(12)19)8-17-15(20)11-6-4-5-7-11/h11-14,18-19H,4-10H2,1-3H3,(H,17,20)/t12-,13-,14+/m1/s1
InChIKeyWRKFIVYENGCYPA-MCIONIFRSA-N
XLogP1.06
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide (CID 75367072) is N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide is CC(C)(C)CN[C@@H]1CO[C@H](CNC(=O)C2CCCC2)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
The InChIKey is WRKFIVYENGCYPA-MCIONIFRSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)10-18-12-9-21-13(14(12)19)8-17-15(20)11-6-4-5-7-11/h11-14,18-19H,4-10H2,1-3H3,(H,17,20)/t12-,13-,14+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 75367072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).