(2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide

C11H23N3O2 — CID 104902959

IUPAC(2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCCC(=O)N(C)C
InChIInChI=1S/C11H23N3O2/c1-8(2)7-9(12)11(16)13-6-5-10(15)14(3)4/h8-9H,5-7,12H2,1-4H3,(H,13,16)/t9-/m1/s1
InChIKeyMFPPCYAZTAPEDP-SECBINFHSA-N
MW229.32 g/mol
LogP-0.05
Rot. Bonds6

About (2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide

(2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide (PubChem CID 104902959) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide
PubChem CID104902959
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCCC(=O)N(C)C
InChIInChI=1S/C11H23N3O2/c1-8(2)7-9(12)11(16)13-6-5-10(15)14(3)4/h8-9H,5-7,12H2,1-4H3,(H,13,16)/t9-/m1/s1
InChIKeyMFPPCYAZTAPEDP-SECBINFHSA-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-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride
CID 119703887
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylpentanamide
CID 62639879
(2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide
CID 61174087
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
CID 79401066
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
2-amino-N-(2-cyanoethyl)-4-methylpentanamide
CID 43364126
(2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 104903471
N,N-dimethyl-3-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]propanamide
CID 111178184
6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid
CID 104903554
(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 104904081

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide (CID 104902959) is (2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)NCCC(=O)N(C)C.
What is the InChIKey of (2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide?
The InChIKey is MFPPCYAZTAPEDP-SECBINFHSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8(2)7-9(12)11(16)13-6-5-10(15)14(3)4/h8-9H,5-7,12H2,1-4H3,(H,13,16)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide?
(2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-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 (2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide is sourced from PubChem (CID 104902959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).