2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid

C15H32N2O2 — CID 79489528

IUPAC2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid
SMILESCCC(CC)N(CC(C)C)C(C)CC(C)(N)C(=O)O
InChIInChI=1S/C15H32N2O2/c1-7-13(8-2)17(10-11(3)4)12(5)9-15(6,16)14(18)19/h11-13H,7-10,16H2,1-6H3,(H,18,19)
InChIKeyCBFOJNCAKXRXTE-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.71
Rot. Bonds9

About 2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid

2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid (PubChem CID 79489528) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid
PubChem CID79489528
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid
SMILESCCC(CC)N(CC(C)C)C(C)CC(C)(N)C(=O)O
InChIInChI=1S/C15H32N2O2/c1-7-13(8-2)17(10-11(3)4)12(5)9-15(6,16)14(18)19/h11-13H,7-10,16H2,1-6H3,(H,18,19)
InChIKeyCBFOJNCAKXRXTE-UHFFFAOYSA-N
XLogP2.71
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(dimethylamino)-2-methylpentanoic acid
CID 64725828
2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 64711201
2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
CID 175042752
2-amino-4-hydroxy-2-methylhexanoic acid
CID 87771326
2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64709529
2-amino-2,4-dimethylpentanedioic acid
CID 87224787
2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728240
4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine
CID 79483348
2-amino-5-ethyl-2,8-dimethylnonanoic acid
CID 152728228
2-amino-4-(4-butan-2-ylpiperazin-1-yl)-2-methylpentanoic acid
CID 64703146
2-amino-2-methyl-4-(4-methylpentoxy)pentanoic acid
CID 64708384
4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide
CID 79490448

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid?
The IUPAC name of 2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid (CID 79489528) is 2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid is CCC(CC)N(CC(C)C)C(C)CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid?
The InChIKey is CBFOJNCAKXRXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-7-13(8-2)17(10-11(3)4)12(5)9-15(6,16)14(18)19/h11-13H,7-10,16H2,1-6H3,(H,18,19).
What are the key properties of 2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid?
2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid has a molecular weight of 272.43 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid is sourced from PubChem (CID 79489528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).