(2S)-2-amino-N-(3-iodophenyl)propanamide

C9H11IN2O — CID 28882940

IUPAC(2S)-2-amino-N-(3-iodophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1cccc(I)c1
InChIInChI=1S/C9H11IN2O/c1-6(11)9(13)12-8-4-2-3-7(10)5-8/h2-6H,11H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyIPGAMIMLNLQVNB-LURJTMIESA-N
MW290.10 g/mol
LogP1.58
Rot. Bonds2

About (2S)-2-amino-N-(3-iodophenyl)propanamide

(2S)-2-amino-N-(3-iodophenyl)propanamide (PubChem CID 28882940) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-iodophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-iodophenyl)propanamide
PubChem CID28882940
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC Name(2S)-2-amino-N-(3-iodophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1cccc(I)c1
InChIInChI=1S/C9H11IN2O/c1-6(11)9(13)12-8-4-2-3-7(10)5-8/h2-6H,11H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyIPGAMIMLNLQVNB-LURJTMIESA-N
XLogP1.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-N-(3-iodophenyl)propanamide
CID 130653575
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
3-(3-iodoanilino)-2-methyl-3-oxopropanoic acid
CID 114897091
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
3-(2-aminopropanoylamino)benzamide
CID 61258270
2-cyclopropyl-N-(3-iodophenyl)propanamide
CID 79507143
(2R)-2-amino-N-phenylpropanamide
CID 10607114
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 119305153
2-amino-N-[3-(difluoromethyl)phenyl]propanamide;hydrochloride
CID 119314355
2-amino-N-(3-iodophenyl)-4-methylsulfonylbutanamide
CID 43124627

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-iodophenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3-iodophenyl)propanamide (CID 28882940) is (2S)-2-amino-N-(3-iodophenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-iodophenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3-iodophenyl)propanamide is C[C@H](N)C(=O)Nc1cccc(I)c1.
What is the InChIKey of (2S)-2-amino-N-(3-iodophenyl)propanamide?
The InChIKey is IPGAMIMLNLQVNB-LURJTMIESA-N. The full InChI is InChI=1S/C9H11IN2O/c1-6(11)9(13)12-8-4-2-3-7(10)5-8/h2-6H,11H2,1H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-iodophenyl)propanamide?
(2S)-2-amino-N-(3-iodophenyl)propanamide has a molecular weight of 290.10 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-iodophenyl)propanamide is sourced from PubChem (CID 28882940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).