methyl (2S)-2-(2-ethylbutylamino)propanoate

C10H21NO2 — CID 43723607

IUPACmethyl (2S)-2-(2-ethylbutylamino)propanoate
SMILESCCC(CC)CN[C@@H](C)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-5-9(6-2)7-11-8(3)10(12)13-4/h8-9,11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyPSWRKOLQUBUSJI-QMMMGPOBSA-N
MW187.28 g/mol
LogP1.57
Rot. Bonds6

About methyl (2S)-2-(2-ethylbutylamino)propanoate

methyl (2S)-2-(2-ethylbutylamino)propanoate (PubChem CID 43723607) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl (2S)-2-(2-ethylbutylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(2-ethylbutylamino)propanoate
PubChem CID43723607
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl (2S)-2-(2-ethylbutylamino)propanoate
SMILESCCC(CC)CN[C@@H](C)C(=O)OC
InChIInChI=1S/C10H21NO2/c1-5-9(6-2)7-11-8(3)10(12)13-4/h8-9,11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyPSWRKOLQUBUSJI-QMMMGPOBSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,2-dihydroxyethylamino)propanoate
CID 150482479
methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate
CID 106931964
methyl 2-(octylamino)propanoate
CID 60780709
ethyl 2-[(3-amino-2-methyl-3-oxopropyl)amino]propanoate
CID 61498686
methyl 2-(tetradecylamino)propanoate
CID 174995791
2-ethyl-N-(3-methylbutan-2-yl)butan-1-amine
CID 43085320
ethyl 2-[2-(2-hydroxyethyl)pentylamino]propanoate
CID 106115101
methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate
CID 106989632
methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate
CID 61499632
methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate
CID 79397662
methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate
CID 61499553

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(2-ethylbutylamino)propanoate?
The IUPAC name of methyl (2S)-2-(2-ethylbutylamino)propanoate (CID 43723607) is methyl (2S)-2-(2-ethylbutylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(2-ethylbutylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(2-ethylbutylamino)propanoate is CCC(CC)CN[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-(2-ethylbutylamino)propanoate?
The InChIKey is PSWRKOLQUBUSJI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-9(6-2)7-11-8(3)10(12)13-4/h8-9,11H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-(2-ethylbutylamino)propanoate?
methyl (2S)-2-(2-ethylbutylamino)propanoate has a molecular weight of 187.28 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(2-ethylbutylamino)propanoate is sourced from PubChem (CID 43723607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).