2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid

C10H18N2O6 — CID 104553076

IUPAC2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
SMILESCC(CO)N(C)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O6/c1-6(5-13)12(2)10(18)11-7(9(16)17)3-4-8(14)15/h6-7,13H,3-5H2,1-2H3,(H,11,18)(H,14,15)(H,16,17)
InChIKeySZARYLCIXDNPRN-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.67
Rot. Bonds7

About 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid

2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid (PubChem CID 104553076) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
PubChem CID104553076
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
SMILESCC(CO)N(C)C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O6/c1-6(5-13)12(2)10(18)11-7(9(16)17)3-4-8(14)15/h6-7,13H,3-5H2,1-2H3,(H,11,18)(H,14,15)(H,16,17)
InChIKeySZARYLCIXDNPRN-UHFFFAOYSA-N
XLogP-0.67
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[butan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194747
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 107567559
(2S)-4-hydroxy-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 107828909
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 104553016
(2R)-4-hydroxy-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 107828905
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 104553020
2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61452729
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104910575
(2S)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 104553217
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
CID 113426163
2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid
CID 61196782
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid
CID 104553103

Frequently Asked Questions

What is the IUPAC name of 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid?
The IUPAC name of 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid (CID 104553076) is 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid is CC(CO)N(C)C(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid?
The InChIKey is SZARYLCIXDNPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-6(5-13)12(2)10(18)11-7(9(16)17)3-4-8(14)15/h6-7,13H,3-5H2,1-2H3,(H,11,18)(H,14,15)(H,16,17).
What are the key properties of 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid?
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid has a molecular weight of 262.26 g/mol, XLogP of -0.67, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid is sourced from PubChem (CID 104553076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).