3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide

C12H24N2O3 — CID 114143597

IUPAC3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide
SMILESCC(C)C(N)CC(=O)NCC1(O)CCOC1C
InChIInChI=1S/C12H24N2O3/c1-8(2)10(13)6-11(15)14-7-12(16)4-5-17-9(12)3/h8-10,16H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyPYVQIKRGNBOFBM-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.02
Rot. Bonds5

About 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide

3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide (PubChem CID 114143597) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide
PubChem CID114143597
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide
SMILESCC(C)C(N)CC(=O)NCC1(O)CCOC1C
InChIInChI=1S/C12H24N2O3/c1-8(2)10(13)6-11(15)14-7-12(16)4-5-17-9(12)3/h8-10,16H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyPYVQIKRGNBOFBM-UHFFFAOYSA-N
XLogP0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pentanamide
CID 106101613
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide
CID 106101560
2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 106101609
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(methylamino)propanamide
CID 106101711
6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide
CID 106101679
2-[1-(aminomethyl)cyclobutyl]-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 114143583
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide
CID 106101086
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide
CID 107302161
2-cycloheptyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301867
2-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 106099096

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide?
The IUPAC name of 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide (CID 114143597) is 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide?
The canonical SMILES for 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide is CC(C)C(N)CC(=O)NCC1(O)CCOC1C.
What is the InChIKey of 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide?
The InChIKey is PYVQIKRGNBOFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)10(13)6-11(15)14-7-12(16)4-5-17-9(12)3/h8-10,16H,4-7,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide?
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide has a molecular weight of 244.33 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide is sourced from PubChem (CID 114143597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).