(2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid

C10H17NO6 — CID 61143698

IUPAC(2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid
SMILESCC(C)COC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C10H17NO6/c1-6(2)5-17-10(16)11-7(9(14)15)3-4-8(12)13/h6-7H,3-5H2,1-2H3,(H,11,16)(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyQEKYAAZRHHANAP-ZETCQYMHSA-N
MW247.25 g/mol
LogP0.69
Rot. Bonds7

About (2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid

(2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid (PubChem CID 61143698) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is (2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid
PubChem CID61143698
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name(2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid
SMILESCC(C)COC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C10H17NO6/c1-6(2)5-17-10(16)11-7(9(14)15)3-4-8(12)13/h6-7H,3-5H2,1-2H3,(H,11,16)(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyQEKYAAZRHHANAP-ZETCQYMHSA-N
XLogP0.69
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid
CID 81076672
2-(chloromethoxycarbonylamino)pentanedioic acid
CID 150490769
(2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid
CID 58474049
2-(2,2,2-trichloroethoxycarbonylamino)pentanedioic acid
CID 10980221
(4S)-4-[(2-aminoacetyl)amino]-5-(2-methylpropoxy)-5-oxopentanoic acid
CID 91214674
(2S)-2-(methoxycarbonylamino)pentanedioic acid;(2S)-2-(methylcarbamoylamino)pentanedioic acid
CID 161104290
2-[[(1S)-1-carboxy-3-methylbutyl]carbamoylamino]pentanedioic acid
CID 88542905
(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride
CID 88754532
(2S)-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanedioic acid
CID 102001257
(2R)-2-acetamidopentanedioic acid
CID 161394708
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid
CID 170835683

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid (CID 61143698) is (2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid is CC(C)COC(=O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid?
The InChIKey is QEKYAAZRHHANAP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17NO6/c1-6(2)5-17-10(16)11-7(9(14)15)3-4-8(12)13/h6-7H,3-5H2,1-2H3,(H,11,16)(H,12,13)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid?
(2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid has a molecular weight of 247.25 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylpropoxycarbonylamino)pentanedioic acid is sourced from PubChem (CID 61143698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).