2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide

C9H18N2O2 — CID 115454582

IUPAC2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide
SMILESCCC(NCC1(CO)CC1)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-2-7(8(10)13)11-5-9(6-12)3-4-9/h7,11-12H,2-6H2,1H3,(H2,10,13)
InChIKeyJPZXCKLFEIMPKH-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.39
Rot. Bonds6

About 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide

2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide (PubChem CID 115454582) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide
PubChem CID115454582
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide
SMILESCCC(NCC1(CO)CC1)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-2-7(8(10)13)11-5-9(6-12)3-4-9/h7,11-12H,2-6H2,1H3,(H2,10,13)
InChIKeyJPZXCKLFEIMPKH-UHFFFAOYSA-N
XLogP-0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylcyclopropyl)methylamino]butanamide
CID 103734831
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide
CID 113313239
ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate
CID 115454875
methyl 2-[(1-ethylcyclobutyl)methylamino]butanoate
CID 107302654
2-(2-aminoethylamino)butanamide
CID 62900229
2-[(1-amino-1-oxobutan-2-yl)amino]butanamide
CID 174420695
2-[(4-ethylcyclohexyl)methylamino]butanamide
CID 62901748
(2S)-2-(benzylamino)butanamide
CID 131998527
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentan-3-ylpropanamide
CID 115359406
ethyl 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pentanoate
CID 114756588
2-(butylamino)butanamide
CID 62901736
2-[[4-(hydroxymethyl)phenyl]methylamino]butanamide
CID 107230915

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide (CID 115454582) is 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide is CCC(NCC1(CO)CC1)C(N)=O.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide?
The InChIKey is JPZXCKLFEIMPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-7(8(10)13)11-5-9(6-12)3-4-9/h7,11-12H,2-6H2,1H3,(H2,10,13).
What are the key properties of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide?
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide has a molecular weight of 186.25 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide is sourced from PubChem (CID 115454582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).