3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid

C15H26N2O4 — CID 79360156

IUPAC3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C15H26N2O4/c1-9(7-12(19)20)6-11(18)17-13(21)16-8-10-14(2,3)15(10,4)5/h9-10H,6-8H2,1-5H3,(H,19,20)(H2,16,17,18,21)
InChIKeyRTCXHGYWVLLTJS-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.00
Rot. Bonds6

About 3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid

3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid (PubChem CID 79360156) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid
PubChem CID79360156
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C15H26N2O4/c1-9(7-12(19)20)6-11(18)17-13(21)16-8-10-14(2,3)15(10,4)5/h9-10H,6-8H2,1-5H3,(H,19,20)(H2,16,17,18,21)
InChIKeyRTCXHGYWVLLTJS-UHFFFAOYSA-N
XLogP2.00
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-oxo-5-(pent-4-ynylcarbamoylamino)pentanoic acid
CID 106222413
3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107419034
5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62964488
3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid
CID 62965171
3-methyl-5-oxo-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
CID 62965170
3-methyl-5-[(2-methylthiolan-2-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 80737142
3-methyl-5-oxo-5-(pyridin-4-ylmethylcarbamoylamino)pentanoic acid
CID 62964312
4-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid
CID 79361337
5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 79878603
3-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79362858
5-[(3-ethoxy-3-oxopropyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62965871
3-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 62963975

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid (CID 79360156) is 3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid is CC(CC(=O)O)CC(=O)NC(=O)NCC1C(C)(C)C1(C)C.
What is the InChIKey of 3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid?
The InChIKey is RTCXHGYWVLLTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-9(7-12(19)20)6-11(18)17-13(21)16-8-10-14(2,3)15(10,4)5/h9-10H,6-8H2,1-5H3,(H,19,20)(H2,16,17,18,21).
What are the key properties of 3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid?
3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid has a molecular weight of 298.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 79360156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).