(2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid

C16H24N2O3 — CID 66513230

IUPAC(2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid
SMILESCCC(C)c1cc([C@H](N)C(=O)O)ccc1N1CCOCC1
InChIInChI=1S/C16H24N2O3/c1-3-11(2)13-10-12(15(17)16(19)20)4-5-14(13)18-6-8-21-9-7-18/h4-5,10-11,15H,3,6-9,17H2,1-2H3,(H,19,20)/t11?,15-/m0/s1
InChIKeySKLZCFSMICPATC-MHTVFEQDSA-N
MW292.38 g/mol
LogP2.12
Rot. Bonds5

About (2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid

(2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid (PubChem CID 66513230) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid
PubChem CID66513230
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid
SMILESCCC(C)c1cc([C@H](N)C(=O)O)ccc1N1CCOCC1
InChIInChI=1S/C16H24N2O3/c1-3-11(2)13-10-12(15(17)16(19)20)4-5-14(13)18-6-8-21-9-7-18/h4-5,10-11,15H,3,6-9,17H2,1-2H3,(H,19,20)/t11?,15-/m0/s1
InChIKeySKLZCFSMICPATC-MHTVFEQDSA-N
XLogP2.12
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(3-butan-2-yl-4-morpholin-4-ylphenyl)propanoate
CID 170884279
(2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid
CID 66513297
2-amino-2-(3-chloro-4-pyrrolidin-1-ylphenyl)acetic acid
CID 77128938
3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid
CID 117115891
(2S)-2-amino-2-(3,5-dichloro-4-morpholin-4-ylphenyl)acetic acid
CID 66513268
(2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid
CID 66512358
1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine
CID 62908814
4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117116014
2-morpholin-4-yl-5-propan-2-ylaniline
CID 22752981
N-(4-butan-2-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 19629642
2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide
CID 19631195
2-[4-[(1S)-1-aminopropyl]phenoxy]-1-morpholin-4-ylpropan-1-one
CID 63367920

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid (CID 66513230) is (2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid is CCC(C)c1cc([C@H](N)C(=O)O)ccc1N1CCOCC1.
What is the InChIKey of (2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid?
The InChIKey is SKLZCFSMICPATC-MHTVFEQDSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-11(2)13-10-12(15(17)16(19)20)4-5-14(13)18-6-8-21-9-7-18/h4-5,10-11,15H,3,6-9,17H2,1-2H3,(H,19,20)/t11?,15-/m0/s1.
What are the key properties of (2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid?
(2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-butan-2-yl-4-morpholin-4-ylphenyl)acetic acid is sourced from PubChem (CID 66513230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).