2-[3-(tert-butylamino)propanoylamino]propanamide

C10H21N3O2 — CID 60850067

IUPAC2-[3-(tert-butylamino)propanoylamino]propanamide
SMILESCC(NC(=O)CCNC(C)(C)C)C(N)=O
InChIInChI=1S/C10H21N3O2/c1-7(9(11)15)13-8(14)5-6-12-10(2,3)4/h7,12H,5-6H2,1-4H3,(H2,11,15)(H,13,14)
InChIKeyJAKNCASPBMKGGX-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.25
Rot. Bonds5

About 2-[3-(tert-butylamino)propanoylamino]propanamide

2-[3-(tert-butylamino)propanoylamino]propanamide (PubChem CID 60850067) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)propanoylamino]propanamide.

Molecular Properties

Compound Name2-[3-(tert-butylamino)propanoylamino]propanamide
PubChem CID60850067
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[3-(tert-butylamino)propanoylamino]propanamide
SMILESCC(NC(=O)CCNC(C)(C)C)C(N)=O
InChIInChI=1S/C10H21N3O2/c1-7(9(11)15)13-8(14)5-6-12-10(2,3)4/h7,12H,5-6H2,1-4H3,(H2,11,15)(H,13,14)
InChIKeyJAKNCASPBMKGGX-UHFFFAOYSA-N
XLogP-0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide
CID 106345043
N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide
CID 88911666
N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide
CID 54110104
3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79248825
(2S)-2-[3-(tert-butylamino)propanoylamino]-3-methylbutanoic acid
CID 61174193
2-(3-chloropropanoylamino)propanamide
CID 43545572
2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid
CID 61161778
(2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid
CID 78975548
(2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride
CID 87710787
3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide
CID 62407749
N-[(1S)-1-(4-bromophenyl)ethyl]-3-(tert-butylamino)propanamide
CID 81359603
3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide
CID 64599712

Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylamino)propanoylamino]propanamide?
The IUPAC name of 2-[3-(tert-butylamino)propanoylamino]propanamide (CID 60850067) is 2-[3-(tert-butylamino)propanoylamino]propanamide.
What is the SMILES notation for 2-[3-(tert-butylamino)propanoylamino]propanamide?
The canonical SMILES for 2-[3-(tert-butylamino)propanoylamino]propanamide is CC(NC(=O)CCNC(C)(C)C)C(N)=O.
What is the InChIKey of 2-[3-(tert-butylamino)propanoylamino]propanamide?
The InChIKey is JAKNCASPBMKGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7(9(11)15)13-8(14)5-6-12-10(2,3)4/h7,12H,5-6H2,1-4H3,(H2,11,15)(H,13,14).
What are the key properties of 2-[3-(tert-butylamino)propanoylamino]propanamide?
2-[3-(tert-butylamino)propanoylamino]propanamide has a molecular weight of 215.30 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylamino)propanoylamino]propanamide is sourced from PubChem (CID 60850067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).