N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide

C9H17NO3 — CID 80708553

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCC1(CO)CC1
InChIInChI=1S/C9H17NO3/c1-13-5-2-8(12)10-6-9(7-11)3-4-9/h11H,2-7H2,1H3,(H,10,12)
InChIKeyHGRIGWZXKHTJRK-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.09
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide (PubChem CID 80708553) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide
PubChem CID80708553
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCC1(CO)CC1
InChIInChI=1S/C9H17NO3/c1-13-5-2-8(12)10-6-9(7-11)3-4-9/h11H,2-7H2,1H3,(H,10,12)
InChIKeyHGRIGWZXKHTJRK-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81362446
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxypentanamide
CID 113382189
formic acid;3-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propanamide
CID 154907115
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
1-[(4-methoxybutanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449369
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methoxyethyl)acetamide
CID 113293821
3-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120888133
1-[(4-methoxybutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362249
[1-[(2-methoxyethylamino)methyl]cyclopropyl]methanol
CID 115454729
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide (CID 80708553) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide is COCCC(=O)NCC1(CO)CC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide?
The InChIKey is HGRIGWZXKHTJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-5-2-8(12)10-6-9(7-11)3-4-9/h11H,2-7H2,1H3,(H,10,12).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide has a molecular weight of 187.24 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxypropanamide is sourced from PubChem (CID 80708553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).