(2S)-2-amino-4-methylpentanoate;iron(3+)

C6H12FeNO2+2 — CID 172736256

IUPAC(2S)-2-amino-4-methylpentanoate;iron(3+)
SMILESCC(C)C[C@H](N)C(=O)[O-].[Fe+3]
InChIInChI=1S/C6H13NO2.Fe/c1-4(2)3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);/q;+3/p-1/t5-;/m0./s1
InChIKeyIMDVSNCIBGPYOY-JEDNCBNOSA-M
MW186.01 g/mol
LogP-0.89
Rot. Bonds3

About (2S)-2-amino-4-methylpentanoate;iron(3+)

(2S)-2-amino-4-methylpentanoate;iron(3+) (PubChem CID 172736256) has the molecular formula C6H12FeNO2+2 and a molecular weight of 186.01 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentanoate;iron(3+).

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentanoate;iron(3+)
PubChem CID172736256
Molecular FormulaC6H12FeNO2+2
Molecular Weight186.01 g/mol
Exact Mass186.02
IUPAC Name(2S)-2-amino-4-methylpentanoate;iron(3+)
SMILESCC(C)C[C@H](N)C(=O)[O-].[Fe+3]
InChIInChI=1S/C6H13NO2.Fe/c1-4(2)3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);/q;+3/p-1/t5-;/m0./s1
InChIKeyIMDVSNCIBGPYOY-JEDNCBNOSA-M
XLogP-0.89
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.01
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methylpentanoate
CID 157437742
copper;(2S,4R)-2-amino-4-hydroxypentanoate;(2R,4S)-2-amino-4-hydroxypentanoate
CID 139053843
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
tris(2-aminobutanedioate);bis(iron(3+))
CID 74401448
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoyl iodide
CID 126568368
(2S)-2-amino-4-hydroxypentanedioate
CID 5460078
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
2-aminobutanedioate
CID 4519554

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylpentanoate;iron(3+)?
The IUPAC name of (2S)-2-amino-4-methylpentanoate;iron(3+) (CID 172736256) is (2S)-2-amino-4-methylpentanoate;iron(3+).
What is the SMILES notation for (2S)-2-amino-4-methylpentanoate;iron(3+)?
The canonical SMILES for (2S)-2-amino-4-methylpentanoate;iron(3+) is CC(C)C[C@H](N)C(=O)[O-].[Fe+3].
What is the InChIKey of (2S)-2-amino-4-methylpentanoate;iron(3+)?
The InChIKey is IMDVSNCIBGPYOY-JEDNCBNOSA-M. The full InChI is InChI=1S/C6H13NO2.Fe/c1-4(2)3-5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);/q;+3/p-1/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylpentanoate;iron(3+)?
(2S)-2-amino-4-methylpentanoate;iron(3+) has a molecular weight of 186.01 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylpentanoate;iron(3+) is sourced from PubChem (CID 172736256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).