N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide

C11H23N3O2 — CID 134350217

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide
SMILESCCCNC(C(=O)N[C@@H](C)C(N)=O)C(C)C
InChIInChI=1S/C11H23N3O2/c1-5-6-13-9(7(2)3)11(16)14-8(4)10(12)15/h7-9,13H,5-6H2,1-4H3,(H2,12,15)(H,14,16)/t8-,9?/m0/s1
InChIKeyDKMVSMSYQYWTQE-IENPIDJESA-N
MW229.32 g/mol
LogP0.00
Rot. Bonds7

About N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide (PubChem CID 134350217) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide
PubChem CID134350217
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide
SMILESCCCNC(C(=O)N[C@@H](C)C(N)=O)C(C)C
InChIInChI=1S/C11H23N3O2/c1-5-6-13-9(7(2)3)11(16)14-8(4)10(12)15/h7-9,13H,5-6H2,1-4H3,(H2,12,15)(H,14,16)/t8-,9?/m0/s1
InChIKeyDKMVSMSYQYWTQE-IENPIDJESA-N
XLogP0.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2S)-1-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(propylamino)butanamide
CID 71696245
2-(propylamino)propanamide
CID 43086178
(2S)-2-(propylamino)propanamide
CID 28835957
3-methyl-2-(pentylamino)butanamide
CID 103914102
(2S,3S)-2-acetamido-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-methylpentanamide
CID 71558799
2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide
CID 43649626
N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide
CID 176992458
(2S)-3-methyl-2-(tetradecylamino)butanamide
CID 54544525
tert-butyl N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 7410696
(2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide
CID 141214116
(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide
CID 54110104

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide (CID 134350217) is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide is CCCNC(C(=O)N[C@@H](C)C(N)=O)C(C)C.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide?
The InChIKey is DKMVSMSYQYWTQE-IENPIDJESA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-6-13-9(7(2)3)11(16)14-8(4)10(12)15/h7-9,13H,5-6H2,1-4H3,(H2,12,15)(H,14,16)/t8-,9?/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide has a molecular weight of 229.32 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide is sourced from PubChem (CID 134350217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).