4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid

C16H30N2O3 — CID 79361337

IUPAC4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid
SMILESCC(CCNC(=O)NCC1C(C)(C)C1(C)C)CCC(=O)O
InChIInChI=1S/C16H30N2O3/c1-11(6-7-13(19)20)8-9-17-14(21)18-10-12-15(2,3)16(12,4)5/h11-12H,6-10H2,1-5H3,(H,19,20)(H2,17,18,21)
InChIKeyXDPZIJFVOYICTI-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.86
Rot. Bonds8

About 4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid

4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid (PubChem CID 79361337) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid
PubChem CID79361337
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid
SMILESCC(CCNC(=O)NCC1C(C)(C)C1(C)C)CCC(=O)O
InChIInChI=1S/C16H30N2O3/c1-11(6-7-13(19)20)8-9-17-14(21)18-10-12-15(2,3)16(12,4)5/h11-12H,6-10H2,1-5H3,(H,19,20)(H2,17,18,21)
InChIKeyXDPZIJFVOYICTI-UHFFFAOYSA-N
XLogP2.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
CID 107419995
4-methyl-6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]hexanoic acid
CID 102907233
6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid
CID 106005327
6-[(3,5-dimethylcyclohexyl)carbamoylamino]-4-methylhexanoic acid
CID 64733713
3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid
CID 79360156
6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid
CID 65459092
6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid
CID 104903554
4-hydroxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79356434
4-methyl-6-(thiolan-3-ylcarbamoylamino)hexanoic acid
CID 103063977
3-(3,5,5-trimethylhexylcarbamoylamino)propanoic acid
CID 122011161
4-methyl-6-[[2-(thian-4-yl)acetyl]amino]hexanoic acid
CID 83145581
4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 82014412

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid?
The IUPAC name of 4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid (CID 79361337) is 4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid?
The canonical SMILES for 4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid is CC(CCNC(=O)NCC1C(C)(C)C1(C)C)CCC(=O)O.
What is the InChIKey of 4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid?
The InChIKey is XDPZIJFVOYICTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(6-7-13(19)20)8-9-17-14(21)18-10-12-15(2,3)16(12,4)5/h11-12H,6-10H2,1-5H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid?
4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 79361337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).