6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid

C13H23N3O5 — CID 61477979

IUPAC6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid
SMILESCCCNC(=O)C(C)NC(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C13H23N3O5/c1-3-8-14-12(20)9(2)15-13(21)16-10(17)6-4-5-7-11(18)19/h9H,3-8H2,1-2H3,(H,14,20)(H,18,19)(H2,15,16,17,21)
InChIKeyAITCJKFLQZTBKL-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.37
Rot. Bonds9

About 6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid

6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid (PubChem CID 61477979) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid
PubChem CID61477979
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid
SMILESCCCNC(=O)C(C)NC(=O)NC(=O)CCCCC(=O)O
InChIInChI=1S/C13H23N3O5/c1-3-8-14-12(20)9(2)15-13(21)16-10(17)6-4-5-7-11(18)19/h9H,3-8H2,1-2H3,(H,14,20)(H,18,19)(H2,15,16,17,21)
InChIKeyAITCJKFLQZTBKL-UHFFFAOYSA-N
XLogP0.37
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid with MolForge

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Related Compounds

4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 54958611
4-oxo-4-[[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propan-2-yl]amino]propan-2-yl]amino]butanoic acid
CID 95989133
5-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]pentanamide
CID 107908685
2-(propan-2-ylcarbamoylamino)-N-propylpropanamide
CID 115579917
2,3-dimethyl-4-oxo-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]but-2-enoic acid
CID 76992145
18-[[(1S)-1-carboxy-4-oxo-4-(propylamino)butyl]amino]-18-oxooctadecanoic acid
CID 59616536
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
7-[2-(carbamoylamino)propanoylamino]heptanoic acid
CID 43358941
6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]-6-oxohexanoic acid
CID 102906601
6-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]-6-oxohexanoic acid
CID 43452308
(2S)-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid
CID 107145710
(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
CID 9207769

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid?
The IUPAC name of 6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid (CID 61477979) is 6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid.
What is the SMILES notation for 6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid?
The canonical SMILES for 6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid is CCCNC(=O)C(C)NC(=O)NC(=O)CCCCC(=O)O.
What is the InChIKey of 6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid?
The InChIKey is AITCJKFLQZTBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-3-8-14-12(20)9(2)15-13(21)16-10(17)6-4-5-7-11(18)19/h9H,3-8H2,1-2H3,(H,14,20)(H,18,19)(H2,15,16,17,21).
What are the key properties of 6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid?
6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid has a molecular weight of 301.34 g/mol, XLogP of 0.37, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid is sourced from PubChem (CID 61477979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).