2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid

C14H28N2O4 — CID 65221138

IUPAC2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(CCOC)C(C)CC)C(=O)O
InChIInChI=1S/C14H28N2O4/c1-5-7-12(13(17)18)10-15-14(19)16(8-9-20-4)11(3)6-2/h11-12H,5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyYEIGEKXRIHYJJO-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.94
Rot. Bonds10

About 2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid

2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid (PubChem CID 65221138) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid
PubChem CID65221138
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(CCOC)C(C)CC)C(=O)O
InChIInChI=1S/C14H28N2O4/c1-5-7-12(13(17)18)10-15-14(19)16(8-9-20-4)11(3)6-2/h11-12H,5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyYEIGEKXRIHYJJO-UHFFFAOYSA-N
XLogP1.94
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 55000845
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086150
2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid
CID 65221921
2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid
CID 65218680
2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62474515
5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686485
2-[[[methyl(pentan-2-yl)carbamoyl]amino]methyl]butanoic acid
CID 65223613
(2S)-3-[[butan-2-yl(butyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 107839256
2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid
CID 81101109
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid
CID 55004090

Frequently Asked Questions

What is the IUPAC name of 2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid (CID 65221138) is 2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)N(CCOC)C(C)CC)C(=O)O.
What is the InChIKey of 2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid?
The InChIKey is YEIGEKXRIHYJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-5-7-12(13(17)18)10-15-14(19)16(8-9-20-4)11(3)6-2/h11-12H,5-10H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid?
2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid has a molecular weight of 288.39 g/mol, XLogP of 1.94, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 65221138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).