methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate

C12H24N2O3 — CID 61173929

IUPACmethyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C12H24N2O3/c1-5-7-14(8-10(15)17-4)12(16)11(13)9(3)6-2/h9,11H,5-8,13H2,1-4H3/t9?,11-/m0/s1
InChIKeyPYLGFUGZCZYJKR-UMJHXOGRSA-N
MW244.33 g/mol
LogP0.77
Rot. Bonds7

About methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate

methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate (PubChem CID 61173929) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate
PubChem CID61173929
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C12H24N2O3/c1-5-7-14(8-10(15)17-4)12(16)11(13)9(3)6-2/h9,11H,5-8,13H2,1-4H3/t9?,11-/m0/s1
InChIKeyPYLGFUGZCZYJKR-UMJHXOGRSA-N
XLogP0.77
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
methyl 2-[[(2S,3S)-2-amino-3-methylpentanoyl]-propan-2-ylamino]acetate
CID 61164140
methyl 2-[3-aminobutanoyl(propyl)amino]acetate
CID 60946687
methyl 2-[2-ethylhexanoyl(propyl)amino]acetate
CID 55006245
methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate
CID 65227489
methyl 3-[[(2S)-2-amino-3-methylpentanoyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 61172693
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate
CID 93371927
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylpentanamide
CID 54871190
3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid
CID 62329160
2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylpentanamide
CID 61446871
methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate
CID 103155156
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate?
The IUPAC name of methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate (CID 61173929) is methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate is CCCN(CC(=O)OC)C(=O)[C@@H](N)C(C)CC.
What is the InChIKey of methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate?
The InChIKey is PYLGFUGZCZYJKR-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-7-14(8-10(15)17-4)12(16)11(13)9(3)6-2/h9,11H,5-8,13H2,1-4H3/t9?,11-/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate?
methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate has a molecular weight of 244.33 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate is sourced from PubChem (CID 61173929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).