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

C12H24N2O4 — CID 81058135

IUPAC2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N(C)CCOC(C)C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-6-10(11(15)16)13-12(17)14(4)7-8-18-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyWVUOWWVOJGGNHR-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.31
Rot. Bonds8

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

2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid (PubChem CID 81058135) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
PubChem CID81058135
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N(C)CCOC(C)C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-6-10(11(15)16)13-12(17)14(4)7-8-18-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyWVUOWWVOJGGNHR-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

(2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 98534737
(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566302
2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 55226587
2-[[butyl(methyl)carbamoyl]amino]pentanoic acid
CID 61184623
(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566916
(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81061955
3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 115698202
4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81057575
2-(3-propan-2-yloxypropanoylamino)pentanoic acid
CID 115923937
(2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid
CID 107566626
5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid
CID 82848023
5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
CID 81085427

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid (CID 81058135) is 2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid is CCCC(NC(=O)N(C)CCOC(C)C)C(=O)O.
What is the InChIKey of 2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is WVUOWWVOJGGNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-6-10(11(15)16)13-12(17)14(4)7-8-18-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid?
2-[[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 2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 81058135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).