5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid

C13H25N3O4 — CID 106917295

IUPAC5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid
SMILESCNC(=O)C(C)CN(C)C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C13H25N3O4/c1-9(12(19)14-3)8-16(4)13(20)15-10(2)6-5-7-11(17)18/h9-10H,5-8H2,1-4H3,(H,14,19)(H,15,20)(H,17,18)
InChIKeyKMTAECHESZSTOM-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.65
Rot. Bonds8

About 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid

5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid (PubChem CID 106917295) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid
PubChem CID106917295
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid
SMILESCNC(=O)C(C)CN(C)C(=O)NC(C)CCCC(=O)O
InChIInChI=1S/C13H25N3O4/c1-9(12(19)14-3)8-16(4)13(20)15-10(2)6-5-7-11(17)18/h9-10H,5-8H2,1-4H3,(H,14,19)(H,15,20)(H,17,18)
InChIKeyKMTAECHESZSTOM-UHFFFAOYSA-N
XLogP0.65
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid with MolForge

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Related Compounds

5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330
(2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107831208
(2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917286
4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid
CID 106917339
2-cyclopropyl-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 106917371
5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid
CID 112662505
4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917206
2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pent-4-enoic acid
CID 106917378
5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid
CID 82848023
2-methyl-4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917283
5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
CID 82848349
3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid
CID 106917240

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid?
The IUPAC name of 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid (CID 106917295) is 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid is CNC(=O)C(C)CN(C)C(=O)NC(C)CCCC(=O)O.
What is the InChIKey of 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid?
The InChIKey is KMTAECHESZSTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-9(12(19)14-3)8-16(4)13(20)15-10(2)6-5-7-11(17)18/h9-10H,5-8H2,1-4H3,(H,14,19)(H,15,20)(H,17,18).
What are the key properties of 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid?
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 106917295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).