4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid

C12H24N2O4 — CID 81057575

IUPAC4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)N(C)CCOC(C)C
InChIInChI=1S/C12H24N2O4/c1-9(2)18-8-7-14(4)12(17)13-10(3)5-6-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyOOXOMCVWHJWGCW-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.31
Rot. Bonds8

About 4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid

4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid (PubChem CID 81057575) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
PubChem CID81057575
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)N(C)CCOC(C)C
InChIInChI=1S/C12H24N2O4/c1-9(2)18-8-7-14(4)12(17)13-10(3)5-6-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyOOXOMCVWHJWGCW-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid
CID 82848023
(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81061955
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81058135
3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 61181719
3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid
CID 61181867
3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062243
3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 115698202
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330
3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81057768
3-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
CID 61478809
(2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 107840583
5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid
CID 112662505

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid (CID 81057575) is 4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid is CC(CCC(=O)O)NC(=O)N(C)CCOC(C)C.
What is the InChIKey of 4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is OOXOMCVWHJWGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-9(2)18-8-7-14(4)12(17)13-10(3)5-6-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid?
4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 81057575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).