CID 175878020

C3H6INNaO3 — CID 175878020

IUPAC—
SMILESO=C(O)[C@H](CO)NI.[Na]
InChIInChI=1S/C3H6INO3.Na/c4-5-2(1-6)3(7)8;/h2,5-6H,1H2,(H,7,8);/t2-;/m0./s1
InChIKeyLXNVTJRDBNBVJT-DKWTVANSSA-N
MW253.98 g/mol
LogP-1.01
Rot. Bonds3

About CID 175878020

CID 175878020 (PubChem CID 175878020) has the molecular formula C3H6INNaO3 and a molecular weight of 253.98 g/mol.

Molecular Properties

Compound NameCID 175878020
PubChem CID175878020
Molecular FormulaC3H6INNaO3
Molecular Weight253.98 g/mol
Exact Mass253.93
IUPAC Name—
SMILESO=C(O)[C@H](CO)NI.[Na]
InChIInChI=1S/C3H6INO3.Na/c4-5-2(1-6)3(7)8;/h2,5-6H,1H2,(H,7,8);/t2-;/m0./s1
InChIKeyLXNVTJRDBNBVJT-DKWTVANSSA-N
XLogP-1.01
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.98
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(iodoamino)butanoic acid
CID 23443212
(2R)-2-(iodoamino)-3-sulfanylpropanoic acid
CID 142742192
methyl (2S)-3-hydroxy-2-(iodoamino)propanoate
CID 147455572
(2S)-2-(iodoamino)pentanoic acid
CID 175707899
5-amino-2-(iodoamino)pentanoic acid
CID 146484863
3-hydroxy-2-(phosphanylcarbonylamino)propanoic acid
CID 178076766
(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid
CID 54359256
(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
(2S)-2-(2,2-dihydroxyethylamino)-3-hydroxypropanoic acid
CID 141052833
(2R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxypropanoic acid
CID 44630224
(2R)-3-hydroxy-2-(methoxyamino)propanoic acid
CID 87285376
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678

Frequently Asked Questions

What is the IUPAC name of CID 175878020?
The IUPAC name of CID 175878020 (CID 175878020) is not available.
What is the SMILES notation for CID 175878020?
The canonical SMILES for CID 175878020 is O=C(O)[C@H](CO)NI.[Na].
What is the InChIKey of CID 175878020?
The InChIKey is LXNVTJRDBNBVJT-DKWTVANSSA-N. The full InChI is InChI=1S/C3H6INO3.Na/c4-5-2(1-6)3(7)8;/h2,5-6H,1H2,(H,7,8);/t2-;/m0./s1.
What are the key properties of CID 175878020?
CID 175878020 has a molecular weight of 253.98 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175878020 is sourced from PubChem (CID 175878020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).