2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide

C7H15N3O2 — CID 43649575

IUPAC2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide
SMILESCCC(N)C(=O)NCC(=O)NC
InChIInChI=1S/C7H15N3O2/c1-3-5(8)7(12)10-4-6(11)9-2/h5H,3-4,8H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyAQLNYNCODCTGRC-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.41
Rot. Bonds4

About 2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide

2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide (PubChem CID 43649575) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide
PubChem CID43649575
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide
SMILESCCC(N)C(=O)NCC(=O)NC
InChIInChI=1S/C7H15N3O2/c1-3-5(8)7(12)10-4-6(11)9-2/h5H,3-4,8H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyAQLNYNCODCTGRC-UHFFFAOYSA-N
XLogP-1.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-methylbutanamide
CID 14888796
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 79025256
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 103794285
(2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide
CID 104861241
2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide
CID 122551407
2-amino-N-[2-(2-hydroxyethoxy)ethyl]butanamide
CID 61273537
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 71351315
2-amino-N-(3-amino-3-oxopropyl)butanamide
CID 43649631
(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide
CID 79023015
(2S)-2-amino-N-(2-cyanopropyl)butanamide
CID 79023306
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614
2-amino-N-but-2-ynylbutanamide
CID 115976942

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide?
The IUPAC name of 2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide (CID 43649575) is 2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide is CCC(N)C(=O)NCC(=O)NC.
What is the InChIKey of 2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide?
The InChIKey is AQLNYNCODCTGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-3-5(8)7(12)10-4-6(11)9-2/h5H,3-4,8H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of 2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide?
2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide has a molecular weight of 173.22 g/mol, XLogP of -1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 43649575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).