2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid

C11H22N2O3 — CID 103870863

IUPAC2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid
SMILESCCC[C@@H](N)C(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-7-8(12)9(14)13(6-2)11(3,4)10(15)16/h8H,5-7,12H2,1-4H3,(H,15,16)/t8-/m1/s1
InChIKeyPBLAPSWFNAHVDZ-MRVPVSSYSA-N
MW230.31 g/mol
LogP0.83
Rot. Bonds6

About 2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid

2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 103870863) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid
PubChem CID103870863
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid
SMILESCCC[C@@H](N)C(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-5-7-8(12)9(14)13(6-2)11(3,4)10(15)16/h8H,5-7,12H2,1-4H3,(H,15,16)/t8-/m1/s1
InChIKeyPBLAPSWFNAHVDZ-MRVPVSSYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminopentanoyl(benzyl)amino]-2-methylpropanoic acid
CID 175596193
2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-ethylamino]-2-methylpropanoic acid
CID 103870861
2-[[(2S)-2-amino-2-phenylacetyl]-ethylamino]-2-methylpropanoic acid
CID 104897827
(2R)-2-amino-N-ethyl-N-methylpentanamide
CID 93255557
(2R)-2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 107570081
3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid
CID 103869271
(2R)-2-amino-N-hydroxy-N-methylpentanamide
CID 131057070
(2R)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpentanamide
CID 107570627
(2R)-2-amino-N-ethyl-N-(2-ethylbutyl)pentanamide
CID 103795380
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid
CID 79811560

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid (CID 103870863) is 2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid is CCC[C@@H](N)C(=O)N(CC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is PBLAPSWFNAHVDZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-7-8(12)9(14)13(6-2)11(3,4)10(15)16/h8H,5-7,12H2,1-4H3,(H,15,16)/t8-/m1/s1.
What are the key properties of 2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid?
2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 103870863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).