(2R)-2-[carboxy(iodo)amino]-2-methylpent-4-ynoic acid

C7H8INO4 — CID 141284136

IUPAC(2R)-2-[carboxy(iodo)amino]-2-methylpent-4-ynoic acid
SMILESC#CC[C@](C)(C(=O)O)N(I)C(=O)O
InChIInChI=1S/C7H8INO4/c1-3-4-7(2,5(10)11)9(8)6(12)13/h1H,4H2,2H3,(H,10,11)(H,12,13)/t7-/m1/s1
InChIKeyJLWGXRYYZWGOFD-SSDOTTSWSA-N
MW297.05 g/mol
LogP1.18
Rot. Bonds3

About (2R)-2-[carboxy(iodo)amino]-2-methylpent-4-ynoic acid

(2R)-2-[carboxy(iodo)amino]-2-methylpent-4-ynoic acid (PubChem CID 141284136) has the molecular formula C7H8INO4 and a molecular weight of 297.05 g/mol. Its IUPAC name is (2R)-2-[carboxy(iodo)amino]-2-methylpent-4-ynoic acid.

Molecular Properties

Compound Name(2R)-2-[carboxy(iodo)amino]-2-methylpent-4-ynoic acid
PubChem CID141284136
Molecular FormulaC7H8INO4
Molecular Weight297.05 g/mol
Exact Mass296.95
IUPAC Name(2R)-2-[carboxy(iodo)amino]-2-methylpent-4-ynoic acid
SMILESC#CC[C@](C)(C(=O)O)N(I)C(=O)O
InChIInChI=1S/C7H8INO4/c1-3-4-7(2,5(10)11)9(8)6(12)13/h1H,4H2,2H3,(H,10,11)(H,12,13)/t7-/m1/s1
InChIKeyJLWGXRYYZWGOFD-SSDOTTSWSA-N
XLogP1.18
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.05
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-methylpent-4-ynoic acid
CID 55302741
(2R)-2-[iodo(prop-2-ynoxycarbonyl)amino]-2-methylbutanoic acid
CID 88585050
2-carbamoyl-2-methylpent-4-ynoic acid
CID 112692966
2-fluoro-2-prop-2-ynylpropanedioic acid
CID 122239544
2-(2-cyanopropan-2-yl)-2-prop-2-ynylbutanedioic acid
CID 88550715
2,2-dimethylpropyl(prop-2-ynyl)carbamic acid
CID 130449168
3-ethyl-3-methylhex-5-yn-2-one
CID 130028478
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid
CID 87242771
2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid
CID 88755093
(2R)-2-[carboxy(methyl)amino]-2-methyl-3-sulfanylpropanoic acid
CID 87532574
CID 175912914
CID 175912914
2,2-bis(prop-2-ynyl)pentanedioic acid
CID 88551261

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[carboxy(iodo)amino]-2-methylpent-4-ynoic acid?
The IUPAC name of (2R)-2-[carboxy(iodo)amino]-2-methylpent-4-ynoic acid (CID 141284136) is (2R)-2-[carboxy(iodo)amino]-2-methylpent-4-ynoic acid.
What is the SMILES notation for (2R)-2-[carboxy(iodo)amino]-2-methylpent-4-ynoic acid?
The canonical SMILES for (2R)-2-[carboxy(iodo)amino]-2-methylpent-4-ynoic acid is C#CC[C@](C)(C(=O)O)N(I)C(=O)O.
What is the InChIKey of (2R)-2-[carboxy(iodo)amino]-2-methylpent-4-ynoic acid?
The InChIKey is JLWGXRYYZWGOFD-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H8INO4/c1-3-4-7(2,5(10)11)9(8)6(12)13/h1H,4H2,2H3,(H,10,11)(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-[carboxy(iodo)amino]-2-methylpent-4-ynoic acid?
(2R)-2-[carboxy(iodo)amino]-2-methylpent-4-ynoic acid has a molecular weight of 297.05 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[carboxy(iodo)amino]-2-methylpent-4-ynoic acid is sourced from PubChem (CID 141284136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).