4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide

C7H15N3O2 — CID 80541244

IUPAC4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide
SMILESCC(CCN)C(=O)NCC(N)=O
InChIInChI=1S/C7H15N3O2/c1-5(2-3-8)7(12)10-4-6(9)11/h5H,2-4,8H2,1H3,(H2,9,11)(H,10,12)
InChIKeyRFQZQUJQIVQLHR-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.43
Rot. Bonds5

About 4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide

4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide (PubChem CID 80541244) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide
PubChem CID80541244
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide
SMILESCC(CCN)C(=O)NCC(N)=O
InChIInChI=1S/C7H15N3O2/c1-5(2-3-8)7(12)10-4-6(9)11/h5H,2-4,8H2,1H3,(H2,9,11)(H,10,12)
InChIKeyRFQZQUJQIVQLHR-UHFFFAOYSA-N
XLogP-1.43
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
4-amino-N-[(2S)-2-hydroxypropyl]-2-methylbutanamide
CID 107221139
(2S)-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)-2-methylpentanamide
CID 147410146
4-amino-N-(2,3-dimethylbutyl)-2-methylbutanamide
CID 80544787
5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide
CID 155415637
4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide
CID 80544789
4-amino-2-methyl-N-propan-2-ylbutanamide
CID 80541541
(2S)-4-amino-2-methylbutanamide
CID 87412339
4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519191
N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide
CID 143641947
acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide
CID 88648065
4-amino-2-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 80543906

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide (CID 80541244) is 4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide is CC(CCN)C(=O)NCC(N)=O.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide?
The InChIKey is RFQZQUJQIVQLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-5(2-3-8)7(12)10-4-6(9)11/h5H,2-4,8H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide?
4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide has a molecular weight of 173.22 g/mol, XLogP of -1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide is sourced from PubChem (CID 80541244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).