2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide

C9H15N3O2 — CID 103101958

IUPAC2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide
SMILESC#CCC(N)C(=O)N(CC)CC(N)=O
InChIInChI=1S/C9H15N3O2/c1-3-5-7(10)9(14)12(4-2)6-8(11)13/h1,7H,4-6,10H2,2H3,(H2,11,13)
InChIKeyYYEQLZKIHCRVRZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.33
Rot. Bonds5

About 2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide

2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide (PubChem CID 103101958) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide
PubChem CID103101958
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide
SMILESC#CCC(N)C(=O)N(CC)CC(N)=O
InChIInChI=1S/C9H15N3O2/c1-3-5-7(10)9(14)12(4-2)6-8(11)13/h1,7H,4-6,10H2,2H3,(H2,11,13)
InChIKeyYYEQLZKIHCRVRZ-UHFFFAOYSA-N
XLogP-1.33
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(2-amino-2-oxoethyl)-ethylamino]-4-oxobutanoic acid
CID 103102001
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide
CID 103102016
2-amino-N-hydroxy-N-methylpent-4-ynamide
CID 130884466
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide
CID 103101968
(2S)-2-amino-N,N-bis(2-amino-2-oxoethyl)-4-methylpentanamide
CID 62922094
2-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-ynamide
CID 112659346
2-amino-N-(2-amino-2-oxoethyl)-N-butylbutanamide
CID 60946996
2-amino-N,N-bis(2-amino-2-oxoethyl)propanamide
CID 62921571
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbutanamide
CID 43649681
2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)pentanamide;hydrochloride
CID 119292364
N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide
CID 103101659
(2R)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)pentanamide
CID 107568096

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide (CID 103101958) is 2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide is C#CCC(N)C(=O)N(CC)CC(N)=O.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide?
The InChIKey is YYEQLZKIHCRVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-5-7(10)9(14)12(4-2)6-8(11)13/h1,7H,4-6,10H2,2H3,(H2,11,13).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide?
2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide has a molecular weight of 197.24 g/mol, XLogP of -1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-N-ethylpent-4-ynamide is sourced from PubChem (CID 103101958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).