3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid

C11H22N2O3 — CID 62329160

IUPAC3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid
SMILESCCC(C)[C@H](N)C(=O)N(CC)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-8(3)10(12)11(16)13(5-2)7-6-9(14)15/h8,10H,4-7,12H2,1-3H3,(H,14,15)/t8?,10-/m0/s1
InChIKeyJYOGWZFOVAGBBZ-HTLJXXAVSA-N
MW230.31 g/mol
LogP0.68
Rot. Bonds7

About 3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid

3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid (PubChem CID 62329160) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid
PubChem CID62329160
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid
SMILESCCC(C)[C@H](N)C(=O)N(CC)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-8(3)10(12)11(16)13(5-2)7-6-9(14)15/h8,10H,4-7,12H2,1-3H3,(H,14,15)/t8?,10-/m0/s1
InChIKeyJYOGWZFOVAGBBZ-HTLJXXAVSA-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

2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylpentanamide
CID 61446871
(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide
CID 63690931
(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide
CID 102993086
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide
CID 79471014
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
3-[[(2S,3S)-2-amino-3-methylpentanoyl]-cyclopropylamino]propanoic acid
CID 61161442
methyl 3-[[(2S)-2-amino-3-methylpentanoyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 61172693
methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate
CID 61173929
2-amino-N-benzyl-N-ethyl-3-methylpentanamide;hydrochloride
CID 119674320
2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide
CID 107398412
3-[(2-amino-2-phenylacetyl)-ethylamino]propanoic acid
CID 55060067
2-[[(2S,3S)-2-amino-3-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 79263366

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid?
The IUPAC name of 3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid (CID 62329160) is 3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid.
What is the SMILES notation for 3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid?
The canonical SMILES for 3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid is CCC(C)[C@H](N)C(=O)N(CC)CCC(=O)O.
What is the InChIKey of 3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid?
The InChIKey is JYOGWZFOVAGBBZ-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-8(3)10(12)11(16)13(5-2)7-6-9(14)15/h8,10H,4-7,12H2,1-3H3,(H,14,15)/t8?,10-/m0/s1.
What are the key properties of 3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid?
3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic 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-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid is sourced from PubChem (CID 62329160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).