(2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide

C13H27N3O2 — CID 103833053

IUPAC(2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCC(=O)NC(C)(C)C
InChIInChI=1S/C13H27N3O2/c1-6-9(2)11(14)12(18)15-8-7-10(17)16-13(3,4)5/h9,11H,6-8,14H2,1-5H3,(H,15,18)(H,16,17)/t9-,11-/m0/s1
InChIKeyLRDRECYFZKVEAP-ONGXEEELSA-N
MW257.38 g/mol
LogP0.78
Rot. Bonds6

About (2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide (PubChem CID 103833053) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide
PubChem CID103833053
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name(2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCC(=O)NC(C)(C)C
InChIInChI=1S/C13H27N3O2/c1-6-9(2)11(14)12(18)15-8-7-10(17)16-13(3,4)5/h9,11H,6-8,14H2,1-5H3,(H,15,18)(H,16,17)/t9-,11-/m0/s1
InChIKeyLRDRECYFZKVEAP-ONGXEEELSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide
CID 43515212
(2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide
CID 61174087
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylpentanamide
CID 61173516
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
(2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide
CID 63958849
2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide
CID 113409920
2-amino-N-[2-(methanesulfonamido)ethyl]-3-methylpentanamide;hydrochloride
CID 119704356
7-[[(2S)-2-amino-3-methylpentanoyl]amino]heptanoic acid
CID 61172355

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide (CID 103833053) is (2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)NCCC(=O)NC(C)(C)C.
What is the InChIKey of (2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide?
The InChIKey is LRDRECYFZKVEAP-ONGXEEELSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-6-9(2)11(14)12(18)15-8-7-10(17)16-13(3,4)5/h9,11H,6-8,14H2,1-5H3,(H,15,18)(H,16,17)/t9-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide has a molecular weight of 257.38 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide is sourced from PubChem (CID 103833053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).