2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid

C12H24N2O5 — CID 61418362

IUPAC2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)N(CCOC)CCOC)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-4-5-10(11(15)16)13-12(17)14(6-8-18-2)7-9-19-3/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyBDCWEYRZYIUGHJ-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.54
Rot. Bonds10

About 2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid

2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid (PubChem CID 61418362) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
PubChem CID61418362
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)N(CCOC)CCOC)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-4-5-10(11(15)16)13-12(17)14(6-8-18-2)7-9-19-3/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyBDCWEYRZYIUGHJ-UHFFFAOYSA-N
XLogP0.54
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 114005835
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 54948450
2-(dipropylcarbamoylamino)-3-methoxypropanoic acid
CID 81084585
(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566916
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107565990
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54947939
(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid
CID 113467934
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305117
4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 54985894

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid?
The IUPAC name of 2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid (CID 61418362) is 2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid is CCCC(NC(=O)N(CCOC)CCOC)C(=O)O.
What is the InChIKey of 2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid?
The InChIKey is BDCWEYRZYIUGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-4-5-10(11(15)16)13-12(17)14(6-8-18-2)7-9-19-3/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid?
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid has a molecular weight of 276.33 g/mol, XLogP of 0.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 61418362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).