ethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate

C10H22N2O3S — CID 170769855

IUPACethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate
SMILES[H]N=S(=O)(CCCC)CC[C@H](N)C(=O)OCC
InChIInChI=1S/C10H22N2O3S/c1-3-5-7-16(12,14)8-6-9(11)10(13)15-4-2/h9,12H,3-8,11H2,1-2H3/t9-,16?/m0/s1
InChIKeyGGPNMSKUYXMFQZ-XUOZKRPMSA-N
MW250.36 g/mol
LogP1.11
Rot. Bonds8

About ethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate

ethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate (PubChem CID 170769855) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is ethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate
PubChem CID170769855
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Nameethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate
SMILES[H]N=S(=O)(CCCC)CC[C@H](N)C(=O)OCC
InChIInChI=1S/C10H22N2O3S/c1-3-5-7-16(12,14)8-6-9(11)10(13)15-4-2/h9,12H,3-8,11H2,1-2H3/t9-,16?/m0/s1
InChIKeyGGPNMSKUYXMFQZ-XUOZKRPMSA-N
XLogP1.11
TPSA93.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-aminohexanoate;hydrochloride
CID 18387178
ethyl (2R)-2,6-diaminohexanoate
CID 7018921
(2S)-4-(butylsulfonimidoyl)-2-(methylamino)butanoic acid
CID 170770396
3-amino-4-butoxy-4-oxobutane-1-sulfonic acid
CID 6426990
ethyl (2S)-2-amino-4-[[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]sulfonimidoyl]butanoate
CID 170770512
ethyl 2-amino-5-(dimethylamino)pentanoate
CID 114525469
ethyl (2S)-2,6-diaminohexanoate;hydrate;dihydrochloride
CID 176886199
(2S)-2-amino-4-(4,4-difluorobutylsulfonimidoyl)butanoic acid
CID 170770456
pentyl 2-amino-4-methylsulfonylbutanoate
CID 61302912
ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 104563527
methyl (2S)-2-aminohexanoate
CID 7018840
dodecyl 2-aminododecanoate
CID 175586127

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate?
The IUPAC name of ethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate (CID 170769855) is ethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate.
What is the SMILES notation for ethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate?
The canonical SMILES for ethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate is [H]N=S(=O)(CCCC)CC[C@H](N)C(=O)OCC.
What is the InChIKey of ethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate?
The InChIKey is GGPNMSKUYXMFQZ-XUOZKRPMSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-5-7-16(12,14)8-6-9(11)10(13)15-4-2/h9,12H,3-8,11H2,1-2H3/t9-,16?/m0/s1.
What are the key properties of ethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate?
ethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate has a molecular weight of 250.36 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-4-(butylsulfonimidoyl)butanoate is sourced from PubChem (CID 170769855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).