(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid

C10H17NO6 — CID 2724758

IUPAC(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C10H17NO6/c1-10(2,3)17-9(16)11-6(8(14)15)4-5-7(12)13/h6H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)/t6-/m0/s1
InChIKeyAQTUACKQXJNHFQ-LURJTMIESA-N
MW247.25 g/mol
LogP0.83
Rot. Bonds5

About (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid (PubChem CID 2724758) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid
PubChem CID2724758
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C10H17NO6/c1-10(2,3)17-9(16)11-6(8(14)15)4-5-7(12)13/h6H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)/t6-/m0/s1
InChIKeyAQTUACKQXJNHFQ-LURJTMIESA-N
XLogP0.83
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-
CID 83170
tert-Butoxycarbonyl-L-isoleucine
CID 2724762
N2-[(1,1-dimethylethoxy)carbonyl]-L-lysine
CID 100148
2-((Tert-butoxycarbonyl)amino)-4-methylpentanoic acid
CID 268473
2-(((Tert-butoxy)carbonyl)amino)pentanoic acid
CID 302433
2-((Tert-butoxycarbonyl)amino)-3-methylpentanoic acid
CID 433623
2-{[(Tert-butoxy)carbonyl]amino}-4-carbamoylbutanoic acid
CID 433635
tert-Butoxycarbonyl-D-leucine
CID 637604
(2S)-2-(((tert-butoxy)carbonyl)amino)pentanoic acid
CID 2733748
N-Boc-L-Leucine Hydrate
CID 12373896
L-Glutamine, N2-((1,1-dimethylethoxy)carbonyl)-
CID 83687
N-(3-Methyl-1-oxobutyl)-L-glutamic acid
CID 133383

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid?
The IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid (CID 2724758) is (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid is CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid?
The InChIKey is AQTUACKQXJNHFQ-LURJTMIESA-N. The full InChI is InChI=1S/C10H17NO6/c1-10(2,3)17-9(16)11-6(8(14)15)4-5-7(12)13/h6H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid?
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid has a molecular weight of 247.25 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid is sourced from PubChem (CID 2724758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).