(2S)-2-(iodoamino)pentanoic acid

C5H10INO2 — CID 175707899

IUPAC(2S)-2-(iodoamino)pentanoic acid
SMILESCCC[C@H](NI)C(=O)O
InChIInChI=1S/C5H10INO2/c1-2-3-4(7-6)5(8)9/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeyDUHIMFHBPMJFCS-BYPYZUCNSA-N
MW243.04 g/mol
LogP1.18
Rot. Bonds4

About (2S)-2-(iodoamino)pentanoic acid

(2S)-2-(iodoamino)pentanoic acid (PubChem CID 175707899) has the molecular formula C5H10INO2 and a molecular weight of 243.04 g/mol. Its IUPAC name is (2S)-2-(iodoamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(iodoamino)pentanoic acid
PubChem CID175707899
Molecular FormulaC5H10INO2
Molecular Weight243.04 g/mol
Exact Mass242.98
IUPAC Name(2S)-2-(iodoamino)pentanoic acid
SMILESCCC[C@H](NI)C(=O)O
InChIInChI=1S/C5H10INO2/c1-2-3-4(7-6)5(8)9/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeyDUHIMFHBPMJFCS-BYPYZUCNSA-N
XLogP1.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.04
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'}

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Related Compounds

2-(iodoamino)butanoic acid
CID 23443212
(2R)-2-(methylamino)pentanoic acid
CID 15677248
butane;2-(hydroxyamino)pentanoic acid
CID 90041467
(2R)-2-(oxidoamino)pentanoic acid
CID 141472977
5-amino-2-(iodoamino)pentanoic acid
CID 146484863
(2S)-2-(methylamino)pentanoic acid;molecular hydrogen;propane
CID 169240700
(2R)-2-(2,3-dimethylbutanoylamino)pentanoic acid
CID 107563339
CID 159174397
CID 159174397
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
2-(2-ethylbutanoylamino)pentanoic acid
CID 43630315
2-(2-ethylbutylcarbamoylamino)pentanoic acid
CID 82927206
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(iodoamino)pentanoic acid?
The IUPAC name of (2S)-2-(iodoamino)pentanoic acid (CID 175707899) is (2S)-2-(iodoamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(iodoamino)pentanoic acid?
The canonical SMILES for (2S)-2-(iodoamino)pentanoic acid is CCC[C@H](NI)C(=O)O.
What is the InChIKey of (2S)-2-(iodoamino)pentanoic acid?
The InChIKey is DUHIMFHBPMJFCS-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10INO2/c1-2-3-4(7-6)5(8)9/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1.
What are the key properties of (2S)-2-(iodoamino)pentanoic acid?
(2S)-2-(iodoamino)pentanoic acid has a molecular weight of 243.04 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(iodoamino)pentanoic acid is sourced from PubChem (CID 175707899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).