N-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide

C8H15N3O2 — CID 43499785

IUPACN-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide
SMILESCCC(CO)NCC(=O)NCC#N
InChIInChI=1S/C8H15N3O2/c1-2-7(6-12)11-5-8(13)10-4-3-9/h7,11-12H,2,4-6H2,1H3,(H,10,13)
InChIKeyAZBCHQNJYFJPLL-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.01
Rot. Bonds6

About N-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide

N-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide (PubChem CID 43499785) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide
PubChem CID43499785
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide
SMILESCCC(CO)NCC(=O)NCC#N
InChIInChI=1S/C8H15N3O2/c1-2-7(6-12)11-5-8(13)10-4-3-9/h7,11-12H,2,4-6H2,1H3,(H,10,13)
InChIKeyAZBCHQNJYFJPLL-UHFFFAOYSA-N
XLogP-1.01
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(1-hydroxybutan-2-ylamino)acetamide
CID 60671634
2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 65313831
N-ethyl-2-(pentan-3-ylamino)acetamide
CID 28566551
N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide
CID 43372205
N-(cyanomethyl)-2-(octan-2-ylamino)acetamide
CID 61476793
N-cyclopentyl-2-(1-hydroxybutan-2-ylamino)acetamide
CID 43389760
2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide
CID 43389753
N-(cyanomethyl)-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393576
N-(cyanomethyl)-2-(1-cyclohexylethylamino)acetamide
CID 62407707
N-(cyanomethyl)-2-formamidoacetamide
CID 143975878
N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide
CID 60672078
N-(cyanomethyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetamide
CID 81356886

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide (CID 43499785) is N-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide is CCC(CO)NCC(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide?
The InChIKey is AZBCHQNJYFJPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-7(6-12)11-5-8(13)10-4-3-9/h7,11-12H,2,4-6H2,1H3,(H,10,13).
What are the key properties of N-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide?
N-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide has a molecular weight of 185.23 g/mol, XLogP of -1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide is sourced from PubChem (CID 43499785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).