2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid

C12H22N2O6 — CID 61447464

IUPAC2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid
SMILESCCCCN(CCO)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C12H22N2O6/c1-2-3-6-14(7-8-15)12(20)13-9(11(18)19)4-5-10(16)17/h9,15H,2-8H2,1H3,(H,13,20)(H,16,17)(H,18,19)
InChIKeyZBIZCHNCWHRLNF-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.11
Rot. Bonds10

About 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid

2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid (PubChem CID 61447464) has the molecular formula C12H22N2O6 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid
PubChem CID61447464
Molecular FormulaC12H22N2O6
Molecular Weight290.32 g/mol
Exact Mass290.15
IUPAC Name2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid
SMILESCCCCN(CCO)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C12H22N2O6/c1-2-3-6-14(7-8-15)12(20)13-9(11(18)19)4-5-10(16)17/h9,15H,2-8H2,1H3,(H,13,20)(H,16,17)(H,18,19)
InChIKeyZBIZCHNCWHRLNF-UHFFFAOYSA-N
XLogP0.11
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(dibutylcarbamoylamino)pentanedioic acid
CID 61185545
(2S)-2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305116
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107565990
(2S)-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]pentanedioic acid
CID 107481977
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276
(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825581
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 55003401
2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-(octadecanoylamino)pentanedioic acid
CID 71587173
1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea
CID 60781183
2-[bis(2-hydroxyethyl)carbamoylamino]-4-methylsulfonylbutanoic acid
CID 61233958
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107826443
(2R)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
CID 107841576

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid?
The IUPAC name of 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid (CID 61447464) is 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid is CCCCN(CCO)C(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid?
The InChIKey is ZBIZCHNCWHRLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O6/c1-2-3-6-14(7-8-15)12(20)13-9(11(18)19)4-5-10(16)17/h9,15H,2-8H2,1H3,(H,13,20)(H,16,17)(H,18,19).
What are the key properties of 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid?
2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid has a molecular weight of 290.32 g/mol, XLogP of 0.11, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(2-hydroxyethyl)carbamoyl]amino]pentanedioic acid is sourced from PubChem (CID 61447464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).