(2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide

C11H23N3O2 — CID 61174087

IUPAC(2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCC(=O)N(C)C
InChIInChI=1S/C11H23N3O2/c1-5-8(2)10(12)11(16)13-7-6-9(15)14(3)4/h8,10H,5-7,12H2,1-4H3,(H,13,16)/t8?,10-/m0/s1
InChIKeyHMNBAYCDCPZSGU-HTLJXXAVSA-N
MW229.32 g/mol
LogP-0.05
Rot. Bonds6

About (2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide

(2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide (PubChem CID 61174087) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide
PubChem CID61174087
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCC(=O)N(C)C
InChIInChI=1S/C11H23N3O2/c1-5-8(2)10(12)11(16)13-7-6-9(15)14(3)4/h8,10H,5-7,12H2,1-4H3,(H,13,16)/t8?,10-/m0/s1
InChIKeyHMNBAYCDCPZSGU-HTLJXXAVSA-N
XLogP-0.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
(2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide
CID 104902959
(2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide
CID 103833053
N,N-dimethyl-3-(3-methylpentan-2-ylamino)propanamide
CID 60925489
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2S,3S)-2-amino-N',N',3-trimethylpentanehydrazide
CID 83021185
(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
7-[[(2S)-2-amino-3-methylpentanoyl]amino]heptanoic acid
CID 61172355
(2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide
CID 62975934

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide (CID 61174087) is (2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NCCC(=O)N(C)C.
What is the InChIKey of (2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide?
The InChIKey is HMNBAYCDCPZSGU-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-8(2)10(12)11(16)13-7-6-9(15)14(3)4/h8,10H,5-7,12H2,1-4H3,(H,13,16)/t8?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide?
(2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide has a molecular weight of 229.32 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide is sourced from PubChem (CID 61174087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).