2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide

C7H15N3O2 — CID 43649626

IUPAC2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide
SMILESCCC(N)C(=O)NC(C)C(N)=O
InChIInChI=1S/C7H15N3O2/c1-3-5(8)7(12)10-4(2)6(9)11/h4-5H,3,8H2,1-2H3,(H2,9,11)(H,10,12)
InChIKeyRUJRXZMNKMIISQ-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.29
Rot. Bonds4

About 2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide

2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide (PubChem CID 43649626) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide
PubChem CID43649626
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide
SMILESCCC(N)C(=O)NC(C)C(N)=O
InChIInChI=1S/C7H15N3O2/c1-3-5(8)7(12)10-4(2)6(9)11/h4-5H,3,8H2,1-2H3,(H2,9,11)(H,10,12)
InChIKeyRUJRXZMNKMIISQ-UHFFFAOYSA-N
XLogP-1.29
TPSA98.21 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 ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobutanoic acid;hydrate
CID 21447998
(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
CID 103109126
2-amino-N-(1-amino-1-oxopropan-2-yl)-4-methylsulfonylbutanamide
CID 43545601
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]butanamide
CID 43649658
(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
N-(1-amino-1-oxopropan-2-yl)-2-(2-aminopropanoylamino)butanamide
CID 163972321
(2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide
CID 79023204
(2R)-2-amino-N-[(2R)-1-aminopropan-2-yl]butanamide
CID 131206927
2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
(2R)-2-amino-N-(4-hydroxybutan-2-yl)butanamide
CID 83177321
(2S)-2-amino-N-(4-methylpentan-2-yl)butanamide
CID 79025012
(2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide
CID 138857478

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide?
The IUPAC name of 2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide (CID 43649626) is 2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide.
What is the SMILES notation for 2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide?
The canonical SMILES for 2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide is CCC(N)C(=O)NC(C)C(N)=O.
What is the InChIKey of 2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide?
The InChIKey is RUJRXZMNKMIISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-3-5(8)7(12)10-4(2)6(9)11/h4-5H,3,8H2,1-2H3,(H2,9,11)(H,10,12).
What are the key properties of 2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide?
2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide has a molecular weight of 173.22 g/mol, XLogP of -1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide is sourced from PubChem (CID 43649626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).