2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide

C12H25N3O2 — CID 43515212

IUPAC2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-6-8(2)10(13)11(17)14-7-9(16)15-12(3,4)5/h8,10H,6-7,13H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyKXXZRDCQFHRPLI-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.39
Rot. Bonds5

About 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide

2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide (PubChem CID 43515212) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide
PubChem CID43515212
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-6-8(2)10(13)11(17)14-7-9(16)15-12(3,4)5/h8,10H,6-7,13H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyKXXZRDCQFHRPLI-UHFFFAOYSA-N
XLogP0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide
CID 103833053
(2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61173876
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride
CID 119695004
(2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide
CID 103832999
2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide
CID 81489680
(2S)-2-amino-N-[2-[(3-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104873662
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3-methylpentanoic acid
CID 115356620
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]acetyl]amino]-3-methylbutanoic acid
CID 18294365
(2S)-2-[[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 145456149
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide
CID 61173516
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175335

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide (CID 43515212) is 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide?
The InChIKey is KXXZRDCQFHRPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-6-8(2)10(13)11(17)14-7-9(16)15-12(3,4)5/h8,10H,6-7,13H2,1-5H3,(H,14,17)(H,15,16).
What are the key properties of 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide?
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide has a molecular weight of 243.35 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide is sourced from PubChem (CID 43515212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).