2-amino-4-methylpentanoic acid;(4-methanimidoylnaphthalen-1-yl)methanol

C18H24N2O3 — CID 142003627

IUPAC2-amino-4-methylpentanoic acid;(4-methanimidoylnaphthalen-1-yl)methanol
SMILESCC(C)CC(N)C(=O)O.[H]/N=C/c1ccc(CO)c2ccccc12
InChIInChI=1S/C12H11NO.C6H13NO2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12;1-4(2)3-5(7)6(8)9/h1-7,13-14H,8H2;4-5H,3,7H2,1-2H3,(H,8,9)/b13-7+;
InChIKeyAQBDESZWAGFSJU-FTPOTTDRSA-N
MW316.40 g/mol
LogP2.77
Rot. Bonds5

About 2-amino-4-methylpentanoic acid;(4-methanimidoylnaphthalen-1-yl)methanol

2-amino-4-methylpentanoic acid;(4-methanimidoylnaphthalen-1-yl)methanol (PubChem CID 142003627) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-amino-4-methylpentanoic acid;(4-methanimidoylnaphthalen-1-yl)methanol.

Molecular Properties

Compound Name2-amino-4-methylpentanoic acid;(4-methanimidoylnaphthalen-1-yl)methanol
PubChem CID142003627
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-amino-4-methylpentanoic acid;(4-methanimidoylnaphthalen-1-yl)methanol
SMILESCC(C)CC(N)C(=O)O.[H]/N=C/c1ccc(CO)c2ccccc12
InChIInChI=1S/C12H11NO.C6H13NO2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12;1-4(2)3-5(7)6(8)9/h1-7,13-14H,8H2;4-5H,3,7H2,1-2H3,(H,8,9)/b13-7+;
InChIKeyAQBDESZWAGFSJU-FTPOTTDRSA-N
XLogP2.77
TPSA107.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-(benzhydrylideneamino)-6-hydroxy-4-methyl-5-naphthalen-2-ylhex-4-enoate
CID 155929577
(2R)-2-amino-2-[6-(aminomethyl)-4-(hydroxymethyl)naphthalen-1-yl]propanoic acid
CID 57235377
[(E)-[4-(hydroxymethyl)naphthalen-1-yl]methylideneamino] acetate
CID 89014209
2-amino-3-[4-[[(Z)-benzylideneamino]oxymethyl]phenyl]propanoic acid
CID 89666556
2-Amino-3-[4-[(benzylideneamino)oxymethyl]phenyl]propanoic acid
CID 123957703
Cyclohexanamine;(4-methanimidoylnaphthalen-1-yl)methanol;hydrate
CID 142003345
5-Amino-2-(naphthalen-2-ylmethylideneamino)pentanoic acid;ethane
CID 172269550
Ethyl 2-[[2-amino-6-(hydroxymethyl)-3,4-dihydronaphthalen-1-yl]methylideneamino]-3-methylbutanoate
CID 176976255
2-[(2-Hydroxy-2-naphthalen-2-ylethyl)amino]-3-methylbutanoic acid
CID 82313314
2-[(2-Hydroxy-2-naphthalen-2-ylethyl)amino]pentanoic acid
CID 82313318
(E)-2-amino-5-(4-methanimidoylnaphthalen-1-yl)pent-4-enoic acid
CID 141936323

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylpentanoic acid;(4-methanimidoylnaphthalen-1-yl)methanol?
The IUPAC name of 2-amino-4-methylpentanoic acid;(4-methanimidoylnaphthalen-1-yl)methanol (CID 142003627) is 2-amino-4-methylpentanoic acid;(4-methanimidoylnaphthalen-1-yl)methanol.
What is the SMILES notation for 2-amino-4-methylpentanoic acid;(4-methanimidoylnaphthalen-1-yl)methanol?
The canonical SMILES for 2-amino-4-methylpentanoic acid;(4-methanimidoylnaphthalen-1-yl)methanol is CC(C)CC(N)C(=O)O.[H]/N=C/c1ccc(CO)c2ccccc12.
What is the InChIKey of 2-amino-4-methylpentanoic acid;(4-methanimidoylnaphthalen-1-yl)methanol?
The InChIKey is AQBDESZWAGFSJU-FTPOTTDRSA-N. The full InChI is InChI=1S/C12H11NO.C6H13NO2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12;1-4(2)3-5(7)6(8)9/h1-7,13-14H,8H2;4-5H,3,7H2,1-2H3,(H,8,9)/b13-7+;.
What are the key properties of 2-amino-4-methylpentanoic acid;(4-methanimidoylnaphthalen-1-yl)methanol?
2-amino-4-methylpentanoic acid;(4-methanimidoylnaphthalen-1-yl)methanol has a molecular weight of 316.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylpentanoic acid;(4-methanimidoylnaphthalen-1-yl)methanol is sourced from PubChem (CID 142003627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).