(2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide

C14H29N3O2 — CID 82962169

IUPAC(2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-9(2)12(15)13(19)16-8-11(18)17(7)10(3)14(4,5)6/h9-10,12H,8,15H2,1-7H3,(H,16,19)/t10?,12-/m0/s1
InChIKeyZIOFPUIPHHTFIU-KFJBMODSSA-N
MW271.40 g/mol
LogP0.98
Rot. Bonds5

About (2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 82962169) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID82962169
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name(2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C14H29N3O2/c1-9(2)12(15)13(19)16-8-11(18)17(7)10(3)14(4,5)6/h9-10,12H,8,15H2,1-7H3,(H,16,19)/t10?,12-/m0/s1
InChIKeyZIOFPUIPHHTFIU-KFJBMODSSA-N
XLogP0.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide with MolForge

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Related Compounds

(2S)-2-amino-N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 113475625
(2S)-2-amino-N-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82961659
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide
CID 61250015
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
(2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 103188725
(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 81433975
(2S)-2-amino-3-methyl-N-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]butanamide
CID 82962028
(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide
CID 104940094
2-amino-N-(3,4-diamino-2,4-dioxobutyl)-3-methylbutanamide
CID 174452502
(2S)-2-amino-N-[2-[(3-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104873662
2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide
CID 115734359
(2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide
CID 82962339

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide (CID 82962169) is (2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(=O)N(C)C(C)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is ZIOFPUIPHHTFIU-KFJBMODSSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-9(2)12(15)13(19)16-8-11(18)17(7)10(3)14(4,5)6/h9-10,12H,8,15H2,1-7H3,(H,16,19)/t10?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 271.40 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82962169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).