3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid

C11H22N2O3 — CID 103869271

IUPAC3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid
SMILESCCC[C@@H](N)C(=O)N(CC)CC(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-9(12)10(14)13(5-2)7-8(3)11(15)16/h8-9H,4-7,12H2,1-3H3,(H,15,16)/t8?,9-/m1/s1
InChIKeyBSYIYYWQSCDOFW-YGPZHTELSA-N
MW230.31 g/mol
LogP0.68
Rot. Bonds7

About 3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid

3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 103869271) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid
PubChem CID103869271
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid
SMILESCCC[C@@H](N)C(=O)N(CC)CC(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-9(12)10(14)13(5-2)7-8(3)11(15)16/h8-9H,4-7,12H2,1-3H3,(H,15,16)/t8?,9-/m1/s1
InChIKeyBSYIYYWQSCDOFW-YGPZHTELSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid
CID 79012580
(2R)-2-amino-N-ethyl-N-(2-ethylbutyl)pentanamide
CID 103795380
(2R)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)pentanamide
CID 107568096
3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid
CID 62852267
(2R)-2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 107570081
(2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 93367275
3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid
CID 62826842
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
(2S)-2-amino-N-(2-cyanopropyl)-N-ethylhexanamide
CID 107144573
3-[[2-(carbamoylamino)-4-methylpentanoyl]-ethylamino]-2-methylpropanoic acid
CID 62825790
2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)pentanamide;hydrochloride
CID 119292364
(2S)-2-amino-N-(2-ethoxyethyl)-N-ethylpentanamide
CID 107569737

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid (CID 103869271) is 3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid is CCC[C@@H](N)C(=O)N(CC)CC(C)C(=O)O.
What is the InChIKey of 3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is BSYIYYWQSCDOFW-YGPZHTELSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-6-9(12)10(14)13(5-2)7-8(3)11(15)16/h8-9H,4-7,12H2,1-3H3,(H,15,16)/t8?,9-/m1/s1.
What are the key properties of 3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid?
3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 103869271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).