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

C12H25N3O2 — CID 106345043

IUPAC2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide
SMILESCC(C)C(NC(=O)CCNC(C)(C)C)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-8(2)10(11(13)17)15-9(16)6-7-14-12(3,4)5/h8,10,14H,6-7H2,1-5H3,(H2,13,17)(H,15,16)
InChIKeyXPZDIXNZSHGTMC-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.39
Rot. Bonds6

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

2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide (PubChem CID 106345043) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide
PubChem CID106345043
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide
SMILESCC(C)C(NC(=O)CCNC(C)(C)C)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-8(2)10(11(13)17)15-9(16)6-7-14-12(3,4)5/h8,10,14H,6-7H2,1-5H3,(H2,13,17)(H,15,16)
InChIKeyXPZDIXNZSHGTMC-UHFFFAOYSA-N
XLogP0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(tert-butylamino)propanoylamino]-3-methylbutanoic acid
CID 61174193
2-[3-(tert-butylamino)propanoylamino]propanamide
CID 60850067
3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79248825
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
3-methyl-2-(propanoylamino)butanamide
CID 22574980
2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid
CID 61161778
5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid
CID 106344071
ethane;(2S)-2-(3-hydroxypropanoylamino)-3-methylbutanamide;molecular hydrogen;hydrate
CID 163276289
2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide
CID 170100793
3-(tert-butylamino)-N-(2,3-dimethylbutyl)propanamide
CID 64599712
N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide
CID 145289155
(2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid
CID 78975548

Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide?
The IUPAC name of 2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide (CID 106345043) is 2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide?
The canonical SMILES for 2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide is CC(C)C(NC(=O)CCNC(C)(C)C)C(N)=O.
What is the InChIKey of 2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide?
The InChIKey is XPZDIXNZSHGTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-8(2)10(11(13)17)15-9(16)6-7-14-12(3,4)5/h8,10,14H,6-7H2,1-5H3,(H2,13,17)(H,15,16).
What are the key properties of 2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide?
2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide has a molecular weight of 243.35 g/mol, XLogP of 0.39, 6 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]-3-methylbutanamide is sourced from PubChem (CID 106345043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).