methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate

C17H34N2O3 — CID 11738548

IUPACmethyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate
SMILESCCCCCCCC[C@@H](NC(=O)[C@H](N)CC(C)C)C(=O)OC
InChIInChI=1S/C17H34N2O3/c1-5-6-7-8-9-10-11-15(17(21)22-4)19-16(20)14(18)12-13(2)3/h13-15H,5-12,18H2,1-4H3,(H,19,20)/t14-,15-/m1/s1
InChIKeyRZTFZEFMHXKGJG-HUUCEWRRSA-N
MW314.47 g/mol
LogP2.77
Rot. Bonds12

About methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate

methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate (PubChem CID 11738548) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate
PubChem CID11738548
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Namemethyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate
SMILESCCCCCCCC[C@@H](NC(=O)[C@H](N)CC(C)C)C(=O)OC
InChIInChI=1S/C17H34N2O3/c1-5-6-7-8-9-10-11-15(17(21)22-4)19-16(20)14(18)12-13(2)3/h13-15H,5-12,18H2,1-4H3,(H,19,20)/t14-,15-/m1/s1
InChIKeyRZTFZEFMHXKGJG-HUUCEWRRSA-N
XLogP2.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
CID 61179526
(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
methyl 2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoate
CID 5159380
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoate;hydrochloride
CID 15598024
(2S)-2-amino-N-[(5S,8S)-8-amino-10-methyl-6,7-dioxoundecan-5-yl]-4-methylpentanamide
CID 148549445
methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate
CID 170220008
methyl 2-acetamidooctanoate
CID 6429509
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305
methyl (2S)-2-methylnonanoate
CID 12525304
(2S)-2-amino-N-(1,1-dimethoxyhexan-2-yl)-4-methylpentanamide
CID 15228367
2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide
CID 58871564

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate?
The IUPAC name of methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate (CID 11738548) is methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate.
What is the SMILES notation for methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate?
The canonical SMILES for methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate is CCCCCCCC[C@@H](NC(=O)[C@H](N)CC(C)C)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate?
The InChIKey is RZTFZEFMHXKGJG-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-5-6-7-8-9-10-11-15(17(21)22-4)19-16(20)14(18)12-13(2)3/h13-15H,5-12,18H2,1-4H3,(H,19,20)/t14-,15-/m1/s1.
What are the key properties of methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate?
methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate has a molecular weight of 314.47 g/mol, XLogP of 2.77, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate is sourced from PubChem (CID 11738548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).